data_2jtv_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 2jtv _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 ' 3' ' ' THR . . . . . 0.407 HG21 ' OD2' ' A' ' 6' ' ' ASP . 11.2 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.15 -30.92 69.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.879 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.18 -30.31 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.378 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.407 ' OD2' HG21 ' A' ' 3' ' ' THR . 72.3 m-20 -75.98 -34.78 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.185 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.498 ' HA ' HG22 ' A' ' 10' ' ' ILE . 55.9 m-85 -60.23 -38.48 83.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 174.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.554 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.32 -46.37 23.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.328 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.1 tp -67.91 -32.12 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -70.79 -31.68 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.78 -36.07 80.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.499 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.484 HG22 ' HB2' ' A' ' 20' ' ' ARG . 12.0 mm -56.79 -39.78 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.961 178.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -73.34 -39.61 65.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.352 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -67.22 -17.53 64.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.102 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -95.69 6.22 49.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.525 0.679 . . . . 0.0 110.422 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.94 -16.84 18.04 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.236 175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 -30.85 4.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.306 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -106.9 149.66 27.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HB2' HG22 ' A' ' 13' ' ' ILE . 5.8 tpt85 -143.16 111.7 6.32 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -96.14 126.47 41.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.083 0.468 . . . . 0.0 110.886 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.94 -179.837 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.619 ' HG2' ' HH ' ' A' ' 52' ' ' TYR . 32.9 tt0 . . . . . 0 C--O 1.233 0.216 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.7 mmmt -53.27 -53.68 53.41 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.0 Cg_endo -61.9 -25.39 78.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.712 1.608 . . . . 0.0 112.068 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -71.21 -48.5 51.04 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.604 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.6 pt-20 -72.51 -26.86 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.641 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.82 -37.7 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.873 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.0 mt -66.75 -29.54 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.282 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 88.9 t -63.58 -42.82 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 0.0 109.742 173.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.21 -37.4 87.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.39 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 34' ' ' LEU . 92.5 mt -75.42 -19.67 59.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.306 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.96 14.9 44.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.94 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -91.3 -33.76 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.202 0.525 . . . . 0.0 110.454 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 47.6 mt -119.24 162.11 19.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.859 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -139.79 121.61 15.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.533 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' NH2' ' HB3' ' A' ' 32' ' ' GLU . 2.4 ptp180 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.084 0.468 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -88.82 117.06 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.637 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.619 ' HH ' ' HG2' ' A' ' 28' ' ' GLN . 94.8 m-85 -102.17 137.56 40.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.039 175.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.14 144.23 49.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.852 0.358 . . . . 0.0 110.368 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.34 141.34 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.417 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.7 p -101.78 -169.58 1.7 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.489 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -75.28 -35.61 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.46 -43.25 97.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.682 173.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.46 -31.02 79.34 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.061 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -73.23 -41.63 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 110.495 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t -65.92 -35.15 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.91 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 177.272 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.476 HG21 ' OD2' ' A' ' 6' ' ' ASP . 14.1 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.98 71.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 111.564 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.23 -38.72 90.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.779 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.476 ' OD2' HG21 ' A' ' 3' ' ' THR . 68.0 m-20 -66.32 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -63.53 -35.86 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.04 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -73.32 -36.05 66.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.331 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -45.61 84.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.559 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 tp -67.63 -28.93 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.596 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.26 -37.26 71.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.35 -34.32 70.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.785 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.536 HG13 HD23 ' A' ' 40' ' ' LEU . 17.0 mm -56.17 -41.85 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.304 0.574 . . . . 0.0 109.971 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.9 m-70 -69.15 -38.72 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.053 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.7 m -65.45 -22.51 66.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.18 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 20' ' ' ARG . 6.1 m -93.36 14.36 18.68 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.557 0.694 . . . . 0.0 110.535 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.47 8.88 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.658 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.55 -1.54 69.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.983 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.564 ' HD2' ' HB3' ' A' ' 51' ' ' HIS . 44.5 ttp180 -146.68 130.75 17.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.451 ' HD2' HG23 ' A' ' 16' ' ' THR . 13.7 tpt180 -119.72 121.28 38.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.698 0.285 . . . . 0.0 110.723 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 50' ' ' THR . 4.3 pt20 -93.15 111.86 23.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 0.0 110.704 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.078 -178.443 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG2' ' HH ' ' A' ' 52' ' ' TYR . 30.9 tt0 . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.7 mtmp? -54.05 -51.53 76.47 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -174.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 16.4 Cg_endo -58.93 -35.68 98.17 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.977 1.784 . . . . 0.0 112.281 176.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.65 -38.04 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.56 -27.05 65.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.135 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.65 -37.63 62.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.877 0.37 . . . . 0.0 110.396 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 65.7 mt -63.93 -27.28 69.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.333 177.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.32 -41.98 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.236 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.01 -32.63 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.607 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD11 HD23 ' A' ' 34' ' ' LEU . 92.0 mt -73.06 -23.4 60.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.574 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.11 31.85 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.251 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.452 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 37.0 m0 -94.84 -34.0 12.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.081 0.467 . . . . 0.0 110.212 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD23 HG13 ' A' ' 13' ' ' ILE . 45.0 mt -119.99 150.14 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.452 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -137.18 117.64 13.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.185 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.4 ptt180 . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 121.479 0.657 . . . . 0.0 111.91 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 24.8 m . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.564 ' HB3' ' HD2' ' A' ' 19' ' ' ARG . 56.0 m-70 -90.88 115.42 27.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.674 0.274 . . . . 0.0 110.536 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 87.0 m-85 -95.1 118.44 31.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.397 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 11.3 tp60 -94.69 142.86 26.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.615 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.9 pt -68.86 135.09 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.716 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 p -95.13 179.78 5.08 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.04 -38.64 88.9 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.53 -44.56 93.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.921 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.28 -28.34 70.72 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.247 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.592 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.0 m -71.96 -44.49 63.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 0.0 110.232 176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -68.24 -41.93 80.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.664 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.733 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 121.082 0.468 . . . . 0.0 111.076 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.487 HG22 ' OD1' ' A' ' 6' ' ' ASP . 15.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.73 -36.24 46.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.581 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.438 ' H ' HG21 ' A' ' 3' ' ' THR . 1.8 m-20 -62.0 -37.32 84.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.047 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.487 ' OD1' HG22 ' A' ' 3' ' ' THR . 5.5 m-20 -70.03 -36.15 74.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -61.08 -38.54 86.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.241 0.543 . . . . 0.0 110.495 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -70.94 -34.43 71.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.979 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.401 HD23 ' CE2' ' A' ' 31' ' ' PHE . 10.1 tt -73.81 -43.44 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.665 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.409 HD13 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -68.1 -26.61 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -68.07 -38.9 82.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -58.16 -37.13 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.632 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.529 HG13 HD21 ' A' ' 40' ' ' LEU . 12.4 mm -57.05 -39.48 66.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.177 0.513 . . . . 0.0 110.179 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 88.0 m-70 -73.84 -40.19 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.073 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 m -60.09 -35.36 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.967 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -77.85 -2.11 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.65 9.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.999 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.67 -16.86 60.29 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.8 mpt_? -125.43 144.74 50.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -136.39 114.29 11.29 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -89.23 128.8 35.86 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 28' ' ' GLN . 48.1 t . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.523 ' HA ' HG13 ' A' ' 22' ' ' VAL . 35.5 tt0 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 120.696 0.284 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -49.03 -54.05 32.33 Favored Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 31.1 Cg_endo -64.1 -33.58 61.05 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.728 1.619 . . . . 0.0 112.474 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.547 ' O ' HG21 ' A' ' 35' ' ' VAL . 88.3 m-85 -66.26 -42.17 88.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.95 -35.33 79.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.045 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.28 -40.48 77.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 37' ' ' LEU . 77.6 mt -64.53 -26.82 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 178.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.547 HG21 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -61.74 -47.85 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.438 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.42 -37.0 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.49 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 34' ' ' LEU . 95.0 mt -68.61 -19.19 64.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.517 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 91.64 14.47 56.77 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.549 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.432 ' CD1' ' HB3' ' A' ' 57' ' ' ARG . 34.7 m0 -90.25 -33.84 16.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.451 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 HD21 HG13 ' A' ' 13' ' ' ILE . 61.7 mt -118.58 154.73 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.128 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -134.15 138.1 44.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.162 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 42' ' ' ARG . 17.7 mtp180 . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.839 0.352 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -86.2 115.24 23.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.35 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.22 128.12 50.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -114.9 146.65 40.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.445 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -62.53 138.15 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.676 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.4 p -105.5 -171.57 1.93 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.927 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.92 -46.56 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 18.9 mmm180 -62.7 -40.2 96.38 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.4 -36.61 93.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.182 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.511 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 86.6 m -71.06 -44.57 65.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.348 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -62.34 -39.13 92.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 111.098 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 178.543 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.26 68.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 111.226 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.02 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -70.92 -39.13 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -60.62 -38.63 85.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.306 0.574 . . . . 0.0 110.429 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -68.32 -34.82 76.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.595 HD23 HD21 ' A' ' 34' ' ' LEU . 8.9 tt -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.445 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.15 -27.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.88 0.372 . . . . 0.0 110.551 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -69.72 -38.27 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.97 -38.21 72.67 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.623 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.599 HG13 HD22 ' A' ' 40' ' ' LEU . 13.8 mm -57.13 -39.76 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.533 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.586 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 96.3 m-70 -72.19 -43.34 64.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.089 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -63.54 -21.96 66.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.383 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.5 m -81.34 -7.03 59.51 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.27 0.557 . . . . 0.0 110.646 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.24 4.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.753 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.7 -21.05 45.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.095 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.3 146.07 44.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.106 177.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 tpt85 -127.0 123.65 37.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.649 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 50' ' ' THR . 17.8 pt20 -107.98 111.35 23.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.724 0.773 . . . . 0.0 110.786 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.688 -178.26 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -51.55 -55.75 26.73 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.48 -28.21 77.62 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 121.862 1.708 . . . . 0.0 112.844 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.8 m-85 -65.4 -40.79 93.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 0.0 110.367 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.65 -23.49 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.231 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.72 -40.97 69.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.402 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 9' ' ' LEU . 10.9 mp -69.45 -23.8 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.128 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 98.5 t -63.36 -42.97 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 109.889 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.52 -40.5 97.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.715 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -22.86 65.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.233 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 23.87 22.71 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.183 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -97.38 -35.21 10.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 109.697 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD22 HG13 ' A' ' 13' ' ' ILE . 64.7 mt -119.8 148.86 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -137.27 125.35 22.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.694 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.194 0.521 . . . . 0.0 110.845 -178.752 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 31.7 m . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -87.61 118.91 27.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.651 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.535 ' HB3' HD21 ' A' ' 40' ' ' LEU . 97.3 m-85 -99.73 119.91 38.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.236 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.417 HE21 HG12 ' A' ' 54' ' ' ILE . 31.6 tp60 -96.2 133.14 40.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.117 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.417 HG12 HE21 ' A' ' 53' ' ' GLN . 34.5 pt -61.46 132.82 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.441 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -93.21 -176.33 4.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.5 -41.59 98.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.66 -47.71 74.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.672 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.32 -31.54 77.57 Favored Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.728 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.586 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.3 m -73.04 -39.74 65.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.965 0.412 . . . . 0.0 110.315 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.0 t -71.24 -46.51 60.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.93 82.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.906 0.384 . . . . 0.0 111.833 -174.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.165 -178.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -59.34 -30.1 68.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.706 0.289 . . . . 0.0 111.479 -177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -59.54 -40.51 87.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -68.63 -35.21 76.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HA ' HG22 ' A' ' 10' ' ' ILE . 53.8 m-85 -62.36 -36.79 83.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.81 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 86.8 mttt -61.26 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.247 0.546 . . . . 0.0 109.816 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.473 HD21 HD11 ' A' ' 34' ' ' LEU . 6.7 tt -66.31 -48.82 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.429 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.6 -29.2 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 ttt180 -64.99 -43.34 92.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.111 0.481 . . . . 0.0 109.778 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.76 -36.24 69.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.246 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.605 HG13 HD22 ' A' ' 40' ' ' LEU . 11.8 mm -60.41 -38.73 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.573 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -74.48 -33.83 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.196 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -62.11 -30.47 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.652 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 p -87.99 11.05 16.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.671 0.272 . . . . 0.0 111.558 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.62 37.42 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.957 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.25 -1.8 26.73 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.703 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -135.05 134.97 40.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.77 119.67 15.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.44 -176.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -97.1 131.43 43.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.739 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.98 177.376 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 36.8 tt0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -59.21 -53.0 70.61 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 19.3 Cg_endo -60.99 -26.9 83.95 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.548 1.499 . . . . 0.0 112.261 176.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' O ' HG21 ' A' ' 35' ' ' VAL . 25.0 m-85 -63.6 -44.97 92.44 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.925 0.393 . . . . 0.0 110.087 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.65 -32.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.144 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.53 -39.16 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.419 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD11 HD21 ' A' ' 9' ' ' LEU . 56.0 mt -68.96 -23.74 64.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 31' ' ' PHE . 57.9 t -66.69 -39.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.77 -35.5 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.229 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.24 -17.82 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.902 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.488 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 85.89 20.88 54.82 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.483 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 31.8 m0 -90.45 -36.05 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.605 HD22 HG13 ' A' ' 13' ' ' ILE . 38.8 mt -114.15 148.39 37.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -134.22 105.08 6.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.839 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 121.241 0.543 . . . . 0.0 110.156 177.667 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -88.87 115.97 26.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.458 ' HB3' HD21 ' A' ' 40' ' ' LEU . 96.8 m-85 -99.73 125.27 45.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.418 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -106.08 142.47 35.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.076 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.98 137.99 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.528 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.4 p -96.54 177.38 5.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.31 -38.83 88.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.236 0.541 . . . . 0.0 109.724 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.488 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 37.8 ttm180 -68.58 -42.43 78.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.212 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.0 -28.51 72.19 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.0 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.3 m -73.43 -44.81 57.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.807 0.337 . . . . 0.0 110.331 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 t -62.24 -39.68 93.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.39 88.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.194 -178.508 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.628 0.251 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.3 70.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -60.09 -40.4 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.53 -41.63 84.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.217 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.47 -35.39 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.531 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.23 -40.24 52.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.59 -41.6 83.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.44 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' A' ' 62' ' ' ALA . 10.7 tp -66.5 -28.58 43.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.135 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 3.6 tmt_? -68.96 -37.98 79.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.04 -35.85 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.099 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.546 HG13 HD22 ' A' ' 40' ' ' LEU . 19.0 mm -57.52 -41.27 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.155 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 79.5 m-70 -71.15 -38.14 72.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.082 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 m -62.12 -26.43 68.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -86.6 -0.23 55.77 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 0.0 110.844 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.5 16.21 11.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.532 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.55 0.68 90.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.266 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 19' ' ' ARG . 31.1 ttt180 -144.13 124.24 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -128.0 123.34 34.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.689 0.28 . . . . 0.0 110.391 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.51 130.82 49.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 0.0 110.878 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.311 178.475 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 38.7 ttpt -51.21 -53.63 46.8 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -175.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 27.0 Cg_endo -62.76 -28.1 75.97 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.796 1.664 . . . . 0.0 112.636 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.478 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.0 m-85 -71.5 -41.8 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.262 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.66 -34.33 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.749 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.96 -40.36 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 37' ' ' LEU . 77.2 mt -66.8 -30.68 70.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 31' ' ' PHE . 73.3 t -65.23 -38.38 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.538 . . . . 0.0 109.905 174.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.61 -35.22 77.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 HD22 ' A' ' 34' ' ' LEU . 95.6 mt -76.17 -20.81 57.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.415 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 92.12 15.97 52.17 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.637 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -89.68 -31.94 17.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.658 . . . . 0.0 109.644 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.546 HD22 HG13 ' A' ' 13' ' ' ILE . 35.1 mt -118.3 155.8 29.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.461 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -146.99 132.68 18.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 . . . . . 0 N--CA 1.445 -0.715 0 CA-C-O 121.419 0.628 . . . . 0.0 109.79 177.35 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 120.643 0.259 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -94.71 115.2 27.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.367 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -99.9 138.01 37.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.22 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -120.93 148.57 43.9 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 pt -64.56 133.28 30.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.506 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.0 p -97.74 -173.5 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.25 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -59.46 -50.45 73.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.455 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 83.2 mtt180 -65.77 -41.2 92.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.49 -30.21 76.12 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.487 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.568 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 89.9 m -73.34 -41.8 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.933 0.397 . . . . 0.0 110.173 175.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.4 t -64.16 -51.23 64.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.975 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.66 88.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.566 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.846 -175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.74 -30.9 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.269 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -60.24 -37.5 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -70.12 -44.03 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' HA ' HG22 ' A' ' 10' ' ' ILE . 82.7 m-85 -60.71 -41.31 94.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.201 0.524 . . . . 0.0 110.596 176.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.43 -36.03 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.015 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.79 -44.57 27.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -68.34 -32.46 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.461 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -71.08 -30.37 66.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 109.82 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.313 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.26 -42.84 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.932 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.61 -40.54 76.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.978 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -61.56 -30.21 70.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.802 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -75.64 -15.11 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.594 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.25 -13.07 5.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.227 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.32 -1.35 26.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.545 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -145.91 131.78 19.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -130.76 119.89 22.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.441 -176.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -105.54 115.89 31.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.216 0.532 . . . . 0.0 110.632 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.691 -179.656 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 9.2 tt0 . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 61.6 tttm -52.84 -53.26 56.64 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.589 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 14.3 Cg_endo -58.48 -27.28 81.52 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.823 1.682 . . . . 0.0 112.519 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 40.3 m-85 -69.78 -48.67 58.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.689 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.31 -25.71 61.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.061 0.458 . . . . 0.0 110.131 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -40.74 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.325 172.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.9 mt -67.73 -27.74 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.662 177.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.92 -41.48 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.013 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.13 -37.3 86.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.135 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 HD23 ' A' ' 34' ' ' LEU . 93.3 mt -74.45 -17.42 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.927 176.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 89.54 15.52 58.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.522 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.4 m0 -88.53 -34.03 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.145 0.498 . . . . 0.0 110.584 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.8 mt -118.66 158.03 26.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.002 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -131.84 143.95 50.54 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.241 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 . . . . . 0 C--N 1.315 -0.904 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.773 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -88.97 115.43 26.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.733 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -100.78 135.88 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.4 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -110.23 142.78 41.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.068 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -67.84 146.52 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.969 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -112.89 -173.88 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.287 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.62 -48.36 75.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 97.1 mtt180 -60.88 -39.56 89.68 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.684 176.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.57 -33.41 86.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.212 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -73.4 -45.95 51.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.055 0.455 . . . . 0.0 110.305 176.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 t -65.99 -30.86 71.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.052 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.17 51.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.66 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.576 -177.144 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.93 -30.03 69.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.78 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.79 -37.79 88.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.708 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.422 ' HB3' HD22 ' A' ' 34' ' ' LEU . 71.5 m-20 -67.44 -41.99 83.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' HA ' HG23 ' A' ' 10' ' ' ILE . 78.9 m-85 -62.18 -40.55 96.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.101 0.477 . . . . 0.0 110.552 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -61.62 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.416 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' CE2' ' A' ' 31' ' ' PHE . 9.1 tt -68.12 -47.76 67.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.015 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.442 HG23 ' HA ' ' A' ' 7' ' ' PHE . 10.6 tp -65.44 -29.28 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 110.465 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -70.88 -35.65 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 31.7 t70 -60.14 -35.17 74.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.561 HG13 HD21 ' A' ' 40' ' ' LEU . 13.0 mm -59.5 -37.46 70.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.4 m-70 -74.32 -37.55 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -67.01 -26.69 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.503 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -88.89 6.18 40.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.731 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 -0.22 24.43 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.128 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.8 -14.23 60.4 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.901 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -131.24 131.16 43.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -131.31 121.9 25.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -97.22 127.14 42.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.075 0.464 . . . . 0.0 110.139 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.247 -179.265 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -49.43 -53.94 35.24 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.481 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.2 Cg_endo -60.34 -31.05 92.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.987 1.791 . . . . 0.0 112.622 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CE2' HD23 ' A' ' 9' ' ' LEU . 86.2 m-85 -66.8 -49.08 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.7 -33.47 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.586 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.5 -42.85 86.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 64.2 mt -66.35 -24.25 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 31' ' ' PHE . 94.2 t -62.71 -38.84 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.974 0.416 . . . . 0.0 110.338 175.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.52 -36.22 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 34' ' ' LEU . 95.6 mt -69.3 -17.53 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.684 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.81 16.71 57.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.171 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.8 m0 -89.37 -33.38 16.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.305 0.574 . . . . 0.0 109.946 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD21 HG13 ' A' ' 13' ' ' ILE . 49.7 mt -118.71 150.45 39.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.768 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -129.87 125.95 36.82 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.34 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HD2' HG22 ' A' ' 50' ' ' THR . 36.5 mtm180 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.496 HG22 ' HD2' ' A' ' 42' ' ' ARG . 63.4 m . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -88.16 121.19 30.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.68 0.276 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.487 ' HB3' HD23 ' A' ' 40' ' ' LEU . 93.5 m-85 -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.524 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -110.57 137.62 48.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.817 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 pt -64.93 135.02 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 p -101.41 -178.81 3.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -39.33 93.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -68.05 -42.78 79.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.242 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.19 -30.16 77.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.492 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 44.0 m -73.51 -44.93 56.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.026 0.441 . . . . 0.0 110.448 175.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -65.79 -40.9 92.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.13 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -55.06 -33.7 62.96 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.575 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 12.5 t70 -68.91 -32.17 71.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.896 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.77 -37.28 76.33 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.002 0.429 . . . . 0.0 110.049 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.409 ' HA ' HG21 ' A' ' 10' ' ' ILE . 62.7 m-85 -60.52 -36.79 79.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.11 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HE3' ' HA ' ' A' ' 5' ' ' ASP . 76.3 mttt -59.18 -49.91 76.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.443 0.64 . . . . 0.0 109.622 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 13' ' ' ILE . 7.7 tt -64.59 -46.77 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.946 -174.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.409 HG21 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.53 -31.81 55.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.976 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -72.1 -35.31 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.197 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.9 -38.22 72.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.584 HG13 HD23 ' A' ' 40' ' ' LEU . 13.3 mm -55.39 -39.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.916 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -69.25 -48.82 60.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.245 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.8 t -63.18 -30.17 71.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.208 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.3 m -72.94 -18.44 61.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.024 0.44 . . . . 0.0 110.968 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.54 22.04 1.53 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.35 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.2 -32.02 6.83 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.338 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -129.37 141.13 51.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.025 0.44 . . . . 0.0 110.442 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.71 121.57 33.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.99 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.67 131.9 41.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.103 0.477 . . . . 0.0 110.537 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.024 177.789 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' HG2' ' HH ' ' A' ' 52' ' ' TYR . 28.1 tt0 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 60.2 tttp -51.13 -51.94 63.28 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 19.2 Cg_endo -60.57 -30.44 90.62 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.942 1.762 . . . . 0.0 112.217 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' ' 35' ' ' VAL . 65.2 m-85 -68.36 -42.91 78.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.905 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.95 -32.75 74.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.713 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.1 -33.47 70.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.29 -26.76 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.641 176.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 31' ' ' PHE . 67.5 t -64.36 -37.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.214 0.531 . . . . 0.0 109.751 173.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.55 -35.25 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.519 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.94 -25.5 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.741 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.01 18.93 41.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.904 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -87.8 -34.26 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.265 0.555 . . . . 0.0 109.822 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.584 HD23 HG13 ' A' ' 13' ' ' ILE . 42.1 mt -116.75 149.4 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.029 177.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -136.35 134.73 38.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.092 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 42' ' ' ARG . 13.5 mtm-85 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.319 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -88.28 117.67 27.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.361 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.5 ' HH ' ' HG2' ' A' ' 28' ' ' GLN . 97.1 m-85 -105.76 116.66 32.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 174.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -105.72 147.19 28.84 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.786 0.327 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -58.61 142.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.523 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 p -107.47 -176.41 3.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.806 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.41 -34.93 76.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.286 0.565 . . . . 0.0 110.071 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.87 -40.39 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.63 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.68 -31.04 78.65 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.032 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 58.3 m -72.74 -43.99 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.984 0.421 . . . . 0.0 110.38 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.7 t -65.15 -35.71 81.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.72 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.63 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.021 0.438 . . . . 0.0 110.969 -179.701 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.59 -31.99 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.867 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -30.6 68.44 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.601 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.7 -40.48 92.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -61.79 -37.84 85.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.404 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -70.76 -43.23 69.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.701 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.91 -44.24 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.677 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -69.23 -30.06 44.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -70.76 -35.48 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -37.3 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.818 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.469 HG13 HD22 ' A' ' 40' ' ' LEU . 17.7 mm -56.81 -41.18 75.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.093 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.709 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.5 m-70 -68.78 -42.93 76.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.6 m -65.79 -25.43 67.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 m -77.75 -12.11 59.94 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.219 0.533 . . . . 0.0 110.52 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.06 0.14 8.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.776 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.58 -11.89 53.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.637 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.21 137.34 48.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -132.16 114.87 15.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.79 0.328 . . . . 0.0 110.563 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -89.43 119.55 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.058 0.456 . . . . 0.0 110.019 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.948 -178.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.968 0.413 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 14.5 tmtt? -50.61 -54.8 31.89 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.377 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.12 -22.63 54.14 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.724 1.616 . . . . 0.0 112.985 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -76.67 -40.12 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.525 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 2.0 pp20? -69.81 -25.59 63.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.247 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.79 -39.91 87.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.703 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 68.7 mt -65.36 -27.29 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.631 178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 48.5 t -63.66 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 174.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.25 -38.47 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.242 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -78.4 -12.55 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.634 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.81 19.41 57.97 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.456 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 26.2 m0 -91.01 -37.18 13.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 52.7 mt -121.78 157.5 30.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.606 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -146.39 118.88 8.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.441 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 50' ' ' THR . 29.0 ptt180 . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.141 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.457 HG22 ' HD2' ' A' ' 42' ' ' ARG . 11.9 m . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -87.32 115.95 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.738 0.304 . . . . 0.0 110.642 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -98.09 125.55 43.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -102.29 138.84 38.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.1 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 pt -59.28 126.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 0.0 110.943 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.542 HG21 ' H ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -102.61 178.35 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' H ' HG21 ' A' ' 55' ' ' THR . 8.4 pt-20 -51.56 -52.29 48.44 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.511 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 84.9 mtt180 -71.39 -27.54 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.773 0.321 . . . . 0.0 110.445 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.35 -35.93 77.34 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.028 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.709 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 48.3 m -70.68 -38.12 73.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.994 0.426 . . . . 0.0 110.222 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.1 t -68.48 -39.01 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.921 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.98 74.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.578 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.272 0.558 . . . . 0.0 110.479 177.523 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.09 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.332 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.24 -38.73 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.946 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -69.97 -46.26 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -59.5 -38.06 79.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.233 0.54 . . . . 0.0 110.674 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -66.33 -41.62 89.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.54 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 30' ' ' PRO . 8.6 tt -68.84 -45.28 71.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.699 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.5 -29.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.539 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 11' ' ' ARG . 20.9 ttt180 -66.5 -39.21 88.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 109.699 175.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.14 -35.51 77.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.766 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.45 HG13 HD22 ' A' ' 40' ' ' LEU . 13.6 mm -58.29 -41.35 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 92.9 m-70 -68.2 -43.35 78.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.422 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -67.81 -19.69 65.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.23 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.5 m -80.66 -18.32 48.39 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.102 0.477 . . . . 0.0 110.535 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 8.18 4.47 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.789 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.68 5.99 68.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.584 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -146.73 142.5 27.86 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -141.95 129.24 21.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 50' ' ' THR . 4.0 pt20 -116.72 117.01 28.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.432 0.634 . . . . 0.0 111.076 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.877 -179.649 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 35.6 tt0 . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tmtt? -57.33 -53.34 66.42 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-O 119.538 -0.267 . . . . 0.0 111.603 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' HD11 ' A' ' 34' ' ' LEU . 13.5 Cg_endo -57.42 -27.55 76.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.75 1.633 . . . . 0.0 112.144 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' ' 35' ' ' VAL . 33.4 m-85 -67.78 -50.43 57.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 110.206 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.9 -45.0 87.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.723 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 30' ' ' PRO . 8.5 mp -66.85 -25.15 66.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.077 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 94.5 t -61.48 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.112 173.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.98 -38.31 90.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.26 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.58 -25.29 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.66 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.84 47.55 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.212 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -89.99 -34.3 16.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.096 0.474 . . . . 0.0 110.823 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 58.4 mt -118.87 156.96 28.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.608 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -140.15 114.7 9.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.097 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' HIS . 27.0 ptt180 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 14.4 m . . . . . 0 N--CA 1.447 -0.606 0 CA-C-O 120.644 0.259 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 27.3 m-70 -89.26 115.09 26.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -104.69 119.16 38.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.809 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.56 149.07 25.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 pt -69.19 140.78 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.179 0.514 . . . . 0.0 111.858 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.1 p -108.92 -173.82 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.116 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.93 -47.57 85.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.6 -39.85 95.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.74 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.01 -29.84 75.15 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.092 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.464 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 31.3 m -73.86 -44.01 56.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 p -68.1 -33.62 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.371 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.43 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.839 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.54 -176.165 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -60.13 -31.05 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.009 -177.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -32.81 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.247 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.98 -36.72 62.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.97 0.414 . . . . 0.0 109.98 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.475 ' HA ' HG22 ' A' ' 10' ' ' ILE . 68.4 m-85 -59.72 -35.79 75.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.592 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 29.3 mtpp -62.84 -40.01 96.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.717 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.02 -43.91 66.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.35 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.4 tp -69.0 -30.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.73 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -63.83 -38.14 90.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.067 0.461 . . . . 0.0 109.866 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.63 -38.65 81.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.823 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.53 HG13 HD21 ' A' ' 40' ' ' LEU . 14.4 mm -57.95 -36.11 54.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 83.6 m-70 -73.39 -45.65 53.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.932 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -62.4 -33.94 75.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.074 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.45 HG21 ' HB2' ' A' ' 20' ' ' ARG . 13.8 t -81.27 12.25 3.69 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.872 0.368 . . . . 0.0 111.66 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.11 14.1 19.65 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.213 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.14 -7.01 83.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.793 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -146.55 133.98 20.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.892 0.377 . . . . 0.0 110.536 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HB2' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -128.95 129.06 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.658 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.8 134.86 44.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 0.0 110.329 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 28' ' ' GLN . 39.0 t . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.935 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.473 ' HG2' ' HH ' ' A' ' 52' ' ' TYR . 33.6 tt0 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.609 0.243 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 15.4 tppt? -61.78 -51.17 77.93 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -175.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 18.1 Cg_endo -59.54 -21.96 64.38 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.948 1.765 . . . . 0.0 112.28 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 35' ' ' VAL . 49.6 m-85 -78.04 -38.69 44.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.249 176.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.32 -31.06 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.015 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.42 -38.92 75.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.172 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 66.3 mt -76.66 -28.58 56.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.919 177.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 31' ' ' PHE . 93.1 t -65.98 -40.55 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.971 0.415 . . . . 0.0 110.288 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.66 -34.15 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.396 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.97 -18.18 47.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.854 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.99 15.91 52.7 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.696 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.504 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 40.2 m0 -86.04 -32.95 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.249 0.547 . . . . 0.0 110.491 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD21 HG13 ' A' ' 13' ' ' ILE . 52.6 mt -119.12 161.29 20.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.448 177.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -137.4 120.0 16.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.285 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 10.7 ptm180 . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.052 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.447 -0.586 0 CA-C-O 120.637 0.256 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -91.12 117.48 29.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.823 -177.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 42' ' ' ARG . 96.0 m-85 -104.15 123.8 47.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.074 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -112.32 150.5 30.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.305 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.3 pt -65.42 134.46 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -103.45 -174.24 2.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.546 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 1.8 mp0 -60.02 -50.23 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.24 -40.63 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.503 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.62 -34.29 89.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.21 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.573 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.38 -44.62 58.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.02 0.438 . . . . 0.0 110.337 175.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -61.24 -37.29 82.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.881 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.65 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 0.0 110.73 -179.815 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.546 HG23 ' OD2' ' A' ' 6' ' ' ASP . 13.8 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.28 -31.2 68.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 111.479 -178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 3' ' ' THR . 3.8 m-20 -69.59 -32.37 71.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.909 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.546 ' OD2' HG23 ' A' ' 3' ' ' THR . 22.5 m-20 -71.26 -33.26 69.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HA ' HG21 ' A' ' 10' ' ' ILE . 49.3 m-85 -61.02 -35.1 75.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.339 172.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -66.78 -40.2 88.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.623 174.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.443 HD21 HD23 ' A' ' 34' ' ' LEU . 7.4 tt -64.49 -48.22 76.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.447 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 HG21 ' HA ' ' A' ' 7' ' ' PHE . 9.2 tp -67.94 -31.36 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.789 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 41.9 ttm180 -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 9.5 t70 -56.08 -38.35 70.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.555 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.603 HG13 HD22 ' A' ' 40' ' ' LEU . 10.2 mm -58.02 -39.91 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.291 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.68 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.2 m-70 -72.23 -41.92 66.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -60.66 -31.04 70.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -83.76 4.12 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.393 0.616 . . . . 0.0 111.111 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.57 23.1 7.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.213 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.99 1.76 86.59 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.284 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -147.0 143.78 28.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -135.58 120.44 18.54 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 174.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -100.54 111.95 24.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.299 0.571 . . . . 0.0 110.214 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.642 -179.74 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.618 ' HB3' ' HH ' ' A' ' 52' ' ' TYR . 84.6 mt-30 . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 87.7 tttt -48.52 -53.37 36.09 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -173.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 28.6 Cg_endo -63.3 -36.89 53.76 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.741 1.628 . . . . 0.0 112.216 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 35' ' ' VAL . 22.4 m-85 -63.56 -37.15 86.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 28' ' ' GLN . 41.2 mt-10 -61.83 -30.41 70.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.206 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.44 -35.91 63.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.41 . . . . 0.0 110.535 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD23 HD21 ' A' ' 9' ' ' LEU . 11.3 mp -68.76 -24.13 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.389 176.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 31' ' ' PHE . 86.1 t -63.47 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.902 173.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.41 -19.47 65.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.188 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.46 21.04 49.88 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.069 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -91.21 -37.04 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.349 0.595 . . . . 0.0 109.48 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 13' ' ' ILE . 41.4 mt -115.73 160.73 19.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.816 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -138.19 131.35 30.18 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.726 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.12 -177.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.793 0.33 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -81.43 117.61 22.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.27 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.618 ' HH ' ' HB3' ' A' ' 28' ' ' GLN . 92.7 m-85 -97.34 115.86 28.47 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -100.56 143.76 30.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.388 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.04 134.93 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.204 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.4 p -95.74 179.73 5.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.716 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.55 -46.02 90.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 174.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -65.64 -41.15 92.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.419 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.69 73.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.295 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.68 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.5 -44.92 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.941 0.401 . . . . 0.0 110.176 175.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.88 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.4 -47.63 72.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.038 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 10' ' ' ILE . . . . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.43 HG21 ' OD2' ' A' ' 6' ' ' ASP . 15.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.6 -32.51 67.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.818 0.342 . . . . 0.0 111.319 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.629 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 19.6 t70 -59.22 -40.87 87.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.531 ' HB3' HD23 ' A' ' 34' ' ' LEU . 66.5 m-20 -67.98 -37.92 82.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.618 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 53.5 m-85 -60.28 -41.99 94.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.73 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.629 ' HE2' ' HA ' ' A' ' 5' ' ' ASP . 48.1 mtmt -63.86 -41.83 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.308 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.12 -42.27 76.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.065 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.36 -32.69 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.712 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 73.2 mtp180 -71.96 -29.26 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.984 0.421 . . . . 0.0 110.222 175.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.63 -37.38 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.913 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.536 HG13 HD23 ' A' ' 40' ' ' LEU . 10.5 mm -59.28 -42.34 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.226 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -68.82 -42.53 77.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.214 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 m -60.74 -36.27 78.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -81.88 4.24 23.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.81 -13.55 7.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.061 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.64 14.24 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.142 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -131.67 149.05 52.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.2 tpm_? -140.43 119.76 13.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.203 -176.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -99.17 135.27 40.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.838 0.351 . . . . 0.0 110.158 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 24.1 t . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 94.6 mt-30 . . . . . 0 C--O 1.225 -0.19 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HB3' ' HE2' ' A' ' 29' ' ' LYS . 51.9 mtpt -44.39 -59.65 3.67 Favored Pre-proline 0 N--CA 1.469 0.481 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.39 -28.57 54.47 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.755 1.636 . . . . 0.0 112.254 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m-85 -71.56 -48.08 50.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.635 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 9.9 pt-20 -72.37 -23.96 61.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.916 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.17 -44.98 96.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.24 0.543 . . . . 0.0 109.611 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 6' ' ' ASP . 58.7 mt -68.17 -27.71 66.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.93 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 31' ' ' PHE . 78.9 t -63.2 -43.63 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.37 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.58 -33.87 74.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.497 HD13 HD21 ' A' ' 34' ' ' LEU . 89.3 mt -72.05 -24.32 61.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.636 175.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.56 9.52 46.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.931 176.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -85.13 -35.25 21.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.0 110.247 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD23 HG13 ' A' ' 13' ' ' ILE . 48.3 mt -115.02 157.63 23.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.676 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -133.63 134.3 43.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.668 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.588 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.445 -0.693 0 CA-C-O 120.894 0.378 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -88.48 115.35 25.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -97.08 138.36 34.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -121.03 141.86 50.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.7 pt -65.78 131.62 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 111.24 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -96.31 -178.7 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.85 -42.68 84.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.35 -46.45 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.308 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.82 -29.0 71.07 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.383 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.413 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 23.9 m -73.99 -48.2 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.917 0.389 . . . . 0.0 110.073 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -61.19 -37.38 82.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.55 91.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.092 0.473 . . . . 0.0 110.55 178.73 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.569 HG21 ' OD2' ' A' ' 6' ' ' ASP . 7.2 t . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.54 70.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.665 0.269 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.489 ' H ' HG23 ' A' ' 3' ' ' THR . 36.4 t70 -71.05 -28.35 64.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.569 ' OD2' HG21 ' A' ' 3' ' ' THR . 8.1 m-20 -66.43 -42.98 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.51 ' HA ' HG21 ' A' ' 10' ' ' ILE . 70.6 m-85 -61.7 -42.05 98.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.96 173.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 26.3 tttm -57.56 -41.86 81.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.632 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.448 HD23 HD13 ' A' ' 34' ' ' LEU . 7.9 tt -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.945 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.51 HG21 ' HA ' ' A' ' 7' ' ' PHE . 11.2 tp -68.65 -31.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.901 -177.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 20.0 mtm180 -68.62 -37.44 79.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.07 -37.49 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.457 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.515 HG13 HD22 ' A' ' 40' ' ' LEU . 14.7 mm -58.38 -45.22 89.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.348 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -68.68 -37.73 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -68.45 -14.89 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.475 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -90.25 -1.33 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.462 0.648 . . . . 0.0 109.941 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.16 -5.69 23.54 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.04 -15.71 13.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.953 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -132.71 139.51 47.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -128.3 132.09 48.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.37 120.7 41.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.418 0.628 . . . . 0.0 111.095 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.171 179.273 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.538 0.209 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.3 mmmt -54.78 -51.79 75.99 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 31.0 Cg_endo -66.64 -23.9 48.73 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 121.64 1.56 . . . . 0.0 112.458 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -75.07 -47.61 27.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.08 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.78 -24.62 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.536 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.73 -44.92 80.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 58.5 mt -64.44 -23.98 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.971 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.71 -39.54 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.979 0.419 . . . . 0.0 110.161 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.27 -36.69 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.156 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 HD12 HD23 ' A' ' 34' ' ' LEU . 98.4 mt -73.64 -17.48 61.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.3 2.92 60.28 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.85 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 24.5 m0 -77.69 -38.73 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.515 HD22 HG13 ' A' ' 13' ' ' ILE . 40.8 mt -114.05 156.04 24.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -132.6 121.31 23.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.753 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.163 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -83.52 114.77 21.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -96.45 121.0 37.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.32 0.581 . . . . 0.0 110.373 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -104.13 138.97 39.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.118 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.28 140.99 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.018 0.437 . . . . 0.0 111.398 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.0 p -107.93 -174.19 2.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.344 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -63.49 -49.42 73.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.224 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.72 -29.85 75.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.798 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.2 m -73.13 -46.77 49.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.836 0.35 . . . . 0.0 110.302 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -68.22 -37.38 80.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.22 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 111.09 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.508 ' HB1' ' HG2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.763 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.548 HG22 ' OD2' ' A' ' 6' ' ' ASP . 12.8 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.16 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.987 0.423 . . . . 0.0 111.307 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.46 ' H ' HG21 ' A' ' 3' ' ' THR . 18.8 t70 -64.06 -41.85 97.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.01 177.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.548 ' OD2' HG22 ' A' ' 3' ' ' THR . 44.8 m-20 -65.32 -34.38 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -60.48 -35.35 75.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.15 -34.2 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.966 0.413 . . . . 0.0 110.224 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.75 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 tp -68.78 -29.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.481 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 35.7 ttm-85 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.553 ' HA ' ' OG ' ' A' ' 15' ' ' SER . 14.0 t70 -60.34 -34.36 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.098 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.51 HG13 HD22 ' A' ' 40' ' ' LEU . 17.4 mm -58.49 -36.13 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.329 0.585 . . . . 0.0 110.074 176.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.506 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.0 m-70 -75.34 -40.52 58.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.553 ' OG ' ' HA ' ' A' ' 12' ' ' ASP . 94.7 p -68.84 -28.75 67.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.203 -175.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.4 p -82.7 6.2 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.952 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 3.13 16.2 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.282 175.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.79 -8.34 57.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.948 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 19' ' ' ARG . 7.0 ppt_? -146.3 146.9 30.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -129.96 126.43 37.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 50' ' ' THR . 15.4 pt20 -108.83 114.34 28.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.302 0.573 . . . . 0.0 110.636 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.994 -177.847 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.717 0.294 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 86.4 tttt -49.83 -50.02 70.24 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 37.3 Cg_endo -66.9 -27.77 43.08 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.634 1.556 . . . . 0.0 112.625 177.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -70.01 -42.86 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.221 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.63 -25.17 64.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.905 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 14.5 t70 -66.42 -36.25 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.136 0.493 . . . . 0.0 109.734 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' HA ' HD13 ' A' ' 37' ' ' LEU . 10.7 mp -73.6 -24.11 60.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.323 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.84 -42.28 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 109.652 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.05 -37.59 83.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.47 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 34' ' ' LEU . 80.2 mt -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.269 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.16 21.11 55.98 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.824 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -92.27 -36.42 13.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.237 0.542 . . . . 0.0 109.902 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 13' ' ' ILE . 73.9 mt -114.93 148.09 39.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.465 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -127.58 132.35 49.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.922 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 175.763 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 14.6 m . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.603 0.24 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -91.4 117.76 29.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.203 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HB3' HD21 ' A' ' 40' ' ' LEU . 98.7 m-85 -104.88 120.71 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -101.54 148.53 25.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 pt -68.87 138.11 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -98.31 177.04 5.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.613 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 1.6 pm0 -70.34 -29.45 66.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.91 -44.23 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.58 70.6 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.947 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.506 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 77.8 m -69.85 -44.59 69.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.993 0.425 . . . . 0.0 110.4 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.5 t -67.17 -45.92 75.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.575 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.57 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.583 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.616 -177.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.408 HG23 ' OD2' ' A' ' 6' ' ' ASP . 14.6 t . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.36 -32.49 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -74.11 -25.9 60.04 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.215 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.408 ' OD2' HG23 ' A' ' 3' ' ' THR . 73.8 m-20 -72.86 -33.24 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -59.56 -37.18 77.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -65.46 -44.43 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.84 -45.18 93.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.804 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.55 -31.64 51.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.738 0.304 . . . . 0.0 110.94 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.53 -36.24 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.498 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.532 HG13 HD23 ' A' ' 40' ' ' LEU . 14.7 mm -58.09 -43.89 86.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.216 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -69.13 -41.01 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.007 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.3 m -63.15 -27.31 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.025 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 m -76.09 -18.74 59.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.832 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.57 -11.24 4.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.58 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 54' ' ' ILE . . . 120.72 -29.83 5.72 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -125.73 135.05 51.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 0.0 110.354 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -128.16 115.19 18.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.408 -175.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -90.81 129.33 36.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.075 0.464 . . . . 0.0 110.69 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.733 177.643 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 41.7 tt0 . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 120.706 0.288 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.34 -53.77 61.53 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.464 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.3 Cg_endo -58.28 -29.84 89.1 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.888 1.725 . . . . 0.0 112.639 176.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' ' 35' ' ' VAL . 43.1 m-85 -61.7 -43.8 98.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.13 0.49 . . . . 0.0 109.789 175.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.62 -31.18 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.375 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.11 -40.07 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.135 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.9 mt -65.61 -30.46 71.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.591 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -62.89 -42.12 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.215 0.531 . . . . 0.0 109.772 174.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.04 -33.55 76.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.21 -16.88 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.301 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.07 41.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 23.1 m0 -93.15 -35.9 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD23 HG13 ' A' ' 13' ' ' ILE . 61.9 mt -121.13 156.54 32.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.431 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -139.87 121.71 15.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.051 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.147 0.499 . . . . 0.0 110.093 -178.302 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -87.84 118.11 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.796 -176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HH ' ' HG2' ' A' ' 28' ' ' GLN . 96.3 m-85 -100.34 122.42 43.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -101.72 139.86 36.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.267 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 18' ' ' GLY . 22.3 pt -61.94 127.1 21.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.297 0.57 . . . . 0.0 111.008 176.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.432 HG21 ' H ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -102.8 174.25 5.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.175 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' H ' HG21 ' A' ' 55' ' ' THR . 33.8 tt0 -56.89 -51.27 69.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 111.639 -174.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -33.94 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.572 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.08 -31.91 72.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.478 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.7 m -70.4 -44.16 68.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.917 0.389 . . . . 0.0 110.478 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.7 t -67.44 -40.68 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.032 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.1 85.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.506 -178.429 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 5' ' ' ASP . 15.3 t . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.11 -31.74 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.0 111.57 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 3' ' ' THR . 13.0 m-20 -66.17 -30.53 71.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.49 -35.61 70.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.145 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' HA ' HG23 ' A' ' 10' ' ' ILE . 67.8 m-85 -59.28 -39.51 83.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.517 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 85.8 mttt -60.07 -46.93 87.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.175 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.78 -44.89 80.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.845 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.474 HG23 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -67.24 -32.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.689 0.28 . . . . 0.0 111.139 -176.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 28.2 mtm180 -70.98 -31.57 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.93 -35.89 79.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.238 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.524 HG13 HD23 ' A' ' 40' ' ' LEU . 15.1 mm -57.5 -45.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.806 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 82.1 m-70 -67.6 -43.25 80.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.171 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 t -60.37 -37.29 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.84 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 m -69.27 -18.6 63.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.116 0.484 . . . . 0.0 111.0 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.67 -15.14 3.14 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.596 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.89 -3.24 10.82 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.783 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -146.66 151.87 37.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.419 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -137.29 120.98 17.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.53 123.16 43.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.098 0.475 . . . . 0.0 110.974 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.598 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 47.4 mmtt -63.38 -48.38 82.22 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 25.4 Cg_endo -64.32 -22.82 66.11 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.592 1.528 . . . . 0.0 112.215 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -80.57 -47.24 14.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 10.9 pt-20 -66.06 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.29 -39.48 89.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 0.0 109.926 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 37' ' ' LEU . 83.1 mt -68.88 -30.03 68.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.05 176.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 96.8 t -62.96 -39.33 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.406 0.622 . . . . 0.0 109.932 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.13 -39.87 86.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.537 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 34' ' ' LEU . 96.8 mt -71.46 -25.31 62.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.484 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 100.58 12.52 37.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.359 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 28.1 m0 -87.09 -39.04 15.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.22 0.534 . . . . 0.0 109.651 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 48.5 mt -114.08 161.52 17.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.27 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 44.9 tttp -145.52 134.09 22.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.794 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 . . . . . 0 C--N 1.317 -0.804 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.504 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -94.98 117.0 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.472 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.4 m-85 -93.14 122.27 35.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.207 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.23 146.16 26.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.112 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.8 pt -66.58 126.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.31 0.576 . . . . 0.0 110.883 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.595 HG21 ' H ' ' A' ' 56' ' ' GLU . 1.3 m -102.09 177.44 4.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.849 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.595 ' H ' HG21 ' A' ' 55' ' ' THR . 14.2 mm-40 -54.84 -50.33 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.671 0.272 . . . . 0.0 111.295 -176.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 99.9 mtt180 -69.6 -27.42 65.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.97 -30.29 61.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.991 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.512 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 75.8 m -72.42 -45.11 61.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.766 0.317 . . . . 0.0 110.875 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 p -68.27 -32.95 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.068 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.708 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.62 -30.31 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.269 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.61 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.176 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.11 -43.66 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.486 ' HA ' HG22 ' A' ' 10' ' ' ILE . 84.7 m-85 -60.65 -41.02 94.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.4 -43.12 99.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.424 HD21 HD13 ' A' ' 34' ' ' LEU . 6.5 tt -67.75 -44.5 77.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.567 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.0 tp -71.05 -33.02 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.291 -177.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.471 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 3.2 mtm180 -69.27 -33.38 73.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.37 -33.89 71.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.331 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.524 HG13 HD23 ' A' ' 40' ' ' LEU . 16.6 mm -60.83 -37.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.427 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 76.2 m-70 -72.9 -45.04 60.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.839 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -60.44 -32.66 71.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.845 -176.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -82.32 0.55 41.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.014 0.435 . . . . 0.0 111.401 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.93 -23.4 4.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.974 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.24 -13.93 7.88 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.906 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -133.87 145.66 49.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -132.99 121.43 22.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -100.33 111.1 23.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.335 0.588 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 28' ' ' GLN . 30.7 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG2' ' HG3' ' A' ' 32' ' ' GLU . 6.9 tt0 . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 111.278 0.103 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 27.4 ttpp -51.98 -53.04 56.02 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 23.7 Cg_endo -62.32 -31.52 81.67 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.801 1.668 . . . . 0.0 112.349 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' O ' HG21 ' A' ' 35' ' ' VAL . 67.1 m-85 -70.44 -38.36 74.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 45.3 mt-10 -66.08 -29.36 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.577 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.04 -38.69 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.351 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 HD22 HD11 ' A' ' 37' ' ' LEU . 67.5 mt -66.75 -27.36 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 178.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 59.4 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.181 0.515 . . . . 0.0 110.173 174.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.38 -35.43 77.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.339 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.436 HD11 HD22 ' A' ' 34' ' ' LEU . 94.4 mt -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.706 175.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.05 12.9 62.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.255 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.404 ' CE3' HD23 ' A' ' 34' ' ' LEU . 41.4 m0 -85.73 -33.97 21.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.155 0.502 . . . . 0.0 110.195 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.524 HD23 HG13 ' A' ' 13' ' ' ILE . 39.6 mt -117.25 147.81 42.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.488 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -133.03 137.42 46.46 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.129 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.577 176.604 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 120.93 0.395 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -78.62 115.73 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.667 -178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.0 m-85 -101.42 137.9 39.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.841 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -123.63 143.62 50.12 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -60.92 144.69 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.975 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.28 -172.97 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.488 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.0 -52.25 64.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.23 -42.07 90.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.482 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.3 -35.25 91.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.266 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.426 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 30.9 m -73.88 -39.13 64.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.822 0.344 . . . . 0.0 110.401 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.402 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.9 69.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.471 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.48 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.99 -30.85 66.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.812 0.339 . . . . 0.0 111.282 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 42.8 m-20 -65.81 -27.83 68.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -72.6 -38.92 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.29 -36.45 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.856 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 5' ' ' ASP . 88.8 mttt -63.95 -47.59 79.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.377 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.17 -45.76 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.468 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.5 tp -70.73 -32.43 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -64.51 -37.64 88.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.451 0.644 . . . . 0.0 109.563 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.68 -30.71 70.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.901 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG12 ' HA ' ' A' ' 10' ' ' ILE . 29.1 mm -56.16 -39.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.684 173.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -73.17 -39.36 65.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -66.68 -22.97 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.167 0.508 . . . . 0.0 110.42 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -83.11 -3.52 57.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.672 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.57 1.93 15.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.76 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.17 -6.19 61.57 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.868 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -133.62 151.42 51.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.1 tpt180 -146.66 132.1 18.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 50' ' ' THR . 5.1 pt20 -115.36 129.59 56.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 110.631 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.938 -179.568 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.231 0.119 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -51.3 -56.11 23.15 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.421 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.8 Cg_endo -66.34 -27.6 47.55 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.785 1.657 . . . . 0.0 112.955 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.5 m-85 -70.26 -47.68 60.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 -23.66 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.324 0.583 . . . . 0.0 109.869 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.49 -42.86 86.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.361 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 55.9 mt -67.32 -24.27 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.842 178.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 57.9 t -64.37 -39.91 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.77 -39.9 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.165 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.11 -13.57 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.158 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.81 26.9 43.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.28 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.2 m0 -97.53 -33.21 11.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.434 HD21 HG13 ' A' ' 13' ' ' ILE . 67.0 mt -121.06 153.25 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.922 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -138.15 136.46 36.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.107 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.649 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 18.2 m . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.733 0.302 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -92.04 116.07 28.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.16 143.83 29.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.554 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -122.62 143.12 49.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.859 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.9 pt -65.74 139.4 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 111.743 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -97.69 -177.0 3.64 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 2.0 pm0 -72.66 -38.18 67.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.467 175.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -69.2 -34.23 74.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.66 -31.96 79.78 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.038 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -72.97 -45.07 60.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 0.0 110.491 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -62.7 -39.11 92.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.69 81.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 178.408 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.717 0.294 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.68 154.51 30.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.906 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.407 HG21 ' OD2' ' A' ' 6' ' ' ASP . 11.2 t -97.99 173.84 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.137 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.15 -30.92 69.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.879 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.18 -30.31 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.378 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' OD2' HG21 ' A' ' 3' ' ' THR . 72.3 m-20 -75.98 -34.78 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.185 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.498 ' HA ' HG22 ' A' ' 10' ' ' ILE . 55.9 m-85 -60.23 -38.48 83.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 174.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.554 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.32 -46.37 23.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.328 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.1 tp -67.91 -32.12 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -70.79 -31.68 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.78 -36.07 80.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.499 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.484 HG22 ' HB2' ' A' ' 20' ' ' ARG . 12.0 mm -56.79 -39.78 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.961 178.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -73.34 -39.61 65.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.352 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -67.22 -17.53 64.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.102 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -95.69 6.22 49.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.525 0.679 . . . . 0.0 110.422 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.94 -16.84 18.04 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.236 175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 -30.85 4.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.306 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -106.9 149.66 27.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HB2' HG22 ' A' ' 13' ' ' ILE . 5.8 tpt85 -143.16 111.7 6.32 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -96.14 126.47 41.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.083 0.468 . . . . 0.0 110.886 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.46 131.59 72.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.94 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.534 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 86.9 m-85 -55.14 -57.79 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.579 0.549 . . . . 0.0 111.35 -176.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.43 -141.49 7.12 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.91 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 61.64 -163.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.693 0.29 . . . . 0.0 111.315 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.4 mtp-105 -63.74 -26.08 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.225 -177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.02 -34.15 75.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.995 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.619 ' HG2' ' HH ' ' A' ' 52' ' ' TYR . 32.9 tt0 -80.59 -21.81 41.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.619 -175.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.7 mmmt -53.27 -53.68 53.41 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.0 Cg_endo -61.9 -25.39 78.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.712 1.608 . . . . 0.0 112.068 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -71.21 -48.5 51.04 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.604 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.6 pt-20 -72.51 -26.86 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.641 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.82 -37.7 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.873 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.0 mt -66.75 -29.54 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.282 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 88.9 t -63.58 -42.82 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 0.0 109.742 173.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.21 -37.4 87.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.39 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 34' ' ' LEU . 92.5 mt -75.42 -19.67 59.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.306 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.96 14.9 44.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.94 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -91.3 -33.76 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.202 0.525 . . . . 0.0 110.454 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 47.6 mt -119.24 162.11 19.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.859 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -139.79 121.61 15.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.533 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' NH2' ' HB3' ' A' ' 32' ' ' GLU . 2.4 ptp180 -91.98 101.78 14.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.084 0.468 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.5 m -90.68 -71.8 0.61 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -80.87 91.14 5.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.188 0.518 . . . . 0.0 109.806 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' HA ' HG23 ' A' ' 50' ' ' THR . 34.9 t -92.08 87.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.89 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.24 157.31 16.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.428 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.5 m -75.02 -7.49 53.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.132 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -84.06 -73.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -140.45 125.93 18.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.138 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.506 HG23 ' HA ' ' A' ' 45' ' ' VAL . 28.7 m -75.13 126.97 32.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.106 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -88.82 117.06 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.637 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.619 ' HH ' ' HG2' ' A' ' 28' ' ' GLN . 94.8 m-85 -102.17 137.56 40.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.039 175.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.14 144.23 49.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.852 0.358 . . . . 0.0 110.368 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.34 141.34 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.417 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.7 p -101.78 -169.58 1.7 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.489 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -75.28 -35.61 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.46 -43.25 97.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.682 173.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.46 -31.02 79.34 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.061 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -73.23 -41.63 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 110.495 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t -65.92 -35.15 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.91 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.43 -36.52 60.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.9 tp -71.67 -21.96 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.122 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -69.41 121.27 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.011 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.478 178.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.53 137.37 47.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.476 HG21 ' OD2' ' A' ' 6' ' ' ASP . 14.1 t -99.18 174.65 6.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.98 71.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 111.564 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.23 -38.72 90.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.779 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.476 ' OD2' HG21 ' A' ' 3' ' ' THR . 68.0 m-20 -66.32 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -63.53 -35.86 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.04 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -73.32 -36.05 66.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.331 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -45.61 84.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.559 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 tp -67.63 -28.93 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.596 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.26 -37.26 71.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.35 -34.32 70.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.785 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.536 HG13 HD23 ' A' ' 40' ' ' LEU . 17.0 mm -56.17 -41.85 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.304 0.574 . . . . 0.0 109.971 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.9 m-70 -69.15 -38.72 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.053 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.7 m -65.45 -22.51 66.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.18 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 20' ' ' ARG . 6.1 m -93.36 14.36 18.68 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.557 0.694 . . . . 0.0 110.535 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.47 8.88 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.658 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.55 -1.54 69.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.983 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.564 ' HD2' ' HB3' ' A' ' 51' ' ' HIS . 44.5 ttp180 -146.68 130.75 17.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' HD2' HG23 ' A' ' 16' ' ' THR . 13.7 tpt180 -119.72 121.28 38.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.698 0.285 . . . . 0.0 110.723 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 50' ' ' THR . 4.3 pt20 -93.15 111.86 23.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 0.0 110.704 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -115.45 135.85 54.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.078 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -73.6 163.85 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.587 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' A' ' 25' ' ' SER . . . -75.22 85.67 0.81 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.13 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 24' ' ' GLY . 38.6 m -150.89 -174.04 4.67 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -58.27 -27.18 63.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 111.152 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -57.94 -31.91 67.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.531 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG2' ' HH ' ' A' ' 52' ' ' TYR . 30.9 tt0 -80.36 -21.28 42.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.675 -172.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.7 mtmp? -54.05 -51.53 76.47 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -174.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 16.4 Cg_endo -58.93 -35.68 98.17 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.977 1.784 . . . . 0.0 112.281 176.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.65 -38.04 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.56 -27.05 65.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.135 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.65 -37.63 62.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.877 0.37 . . . . 0.0 110.396 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 65.7 mt -63.93 -27.28 69.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.333 177.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.32 -41.98 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.236 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.01 -32.63 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.607 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD11 HD23 ' A' ' 34' ' ' LEU . 92.0 mt -73.06 -23.4 60.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.574 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.11 31.85 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.251 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.452 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 37.0 m0 -94.84 -34.0 12.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.081 0.467 . . . . 0.0 110.212 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD23 HG13 ' A' ' 13' ' ' ILE . 45.0 mt -119.99 150.14 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.452 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -137.18 117.64 13.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.185 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.4 ptt180 -87.07 119.17 27.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.479 0.657 . . . . 0.0 111.91 -175.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 m -133.13 -179.91 5.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.746 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m 66.58 -76.81 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.274 0.63 . . . . 0.0 111.792 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.6 t 62.47 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.356 0.663 . . . . 0.0 111.709 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -106.5 98.66 8.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.733 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m 61.28 -93.44 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.375 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 5.5 mpt_? -109.85 -13.42 14.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.665 0.269 . . . . 0.0 110.838 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.86 114.22 26.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.117 0.484 . . . . 0.0 110.763 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 24.8 m -92.61 125.28 37.17 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.999 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.564 ' HB3' ' HD2' ' A' ' 19' ' ' ARG . 56.0 m-70 -90.88 115.42 27.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.674 0.274 . . . . 0.0 110.536 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 87.0 m-85 -95.1 118.44 31.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.397 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 11.3 tp60 -94.69 142.86 26.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.615 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.9 pt -68.86 135.09 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.716 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 p -95.13 179.78 5.08 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.04 -38.64 88.9 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.53 -44.56 93.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.921 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.28 -28.34 70.72 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.247 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.592 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.0 m -71.96 -44.49 63.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 0.0 110.232 176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 32.4 t -68.24 -41.93 80.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.664 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.733 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.79 -23.28 60.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.082 0.468 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.3 tp -88.49 -4.96 58.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.413 0.625 . . . . 0.0 109.933 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.548 ' HE ' ' HA ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -108.25 120.22 41.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.235 -178.389 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.666 -0.683 . . . . 0.0 109.98 178.475 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tmm? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' HB1' HD11 ' A' ' 37' ' ' LEU . . . -87.21 111.17 20.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.784 0.326 . . . . 0.0 111.654 -174.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.487 HG22 ' OD1' ' A' ' 6' ' ' ASP . 15.0 t -104.74 -178.88 3.78 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 175.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.73 -36.24 46.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.581 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.438 ' H ' HG21 ' A' ' 3' ' ' THR . 1.8 m-20 -62.0 -37.32 84.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.047 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.487 ' OD1' HG22 ' A' ' 3' ' ' THR . 5.5 m-20 -70.03 -36.15 74.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -61.08 -38.54 86.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.241 0.543 . . . . 0.0 110.495 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -70.94 -34.43 71.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.979 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.401 HD23 ' CE2' ' A' ' 31' ' ' PHE . 10.1 tt -73.81 -43.44 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.665 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 HD13 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -68.1 -26.61 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -68.07 -38.9 82.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -58.16 -37.13 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.632 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.529 HG13 HD21 ' A' ' 40' ' ' LEU . 12.4 mm -57.05 -39.48 66.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.177 0.513 . . . . 0.0 110.179 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 88.0 m-70 -73.84 -40.19 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.073 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 m -60.09 -35.36 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.967 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -77.85 -2.11 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.65 9.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.999 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.67 -16.86 60.29 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.8 mpt_? -125.43 144.74 50.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -136.39 114.29 11.29 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -89.23 128.8 35.86 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 28' ' ' GLN . 48.1 t -124.96 131.28 72.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 82.4 m-85 -69.31 147.41 51.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.261 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.58 81.37 0.22 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.963 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 m -149.48 -169.52 3.4 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.776 0.431 . . . . 0.0 109.871 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -57.69 -32.63 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.779 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.14 -25.64 68.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.587 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.523 ' HA ' HG13 ' A' ' 22' ' ' VAL . 35.5 tt0 -75.83 -21.29 57.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.348 -176.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -49.03 -54.05 32.33 Favored Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 31.1 Cg_endo -64.1 -33.58 61.05 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.728 1.619 . . . . 0.0 112.474 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.547 ' O ' HG21 ' A' ' 35' ' ' VAL . 88.3 m-85 -66.26 -42.17 88.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.95 -35.33 79.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.045 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.28 -40.48 77.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 37' ' ' LEU . 77.6 mt -64.53 -26.82 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 178.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.547 HG21 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -61.74 -47.85 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.438 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.42 -37.0 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.49 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 34' ' ' LEU . 95.0 mt -68.61 -19.19 64.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.517 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 91.64 14.47 56.77 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.549 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.432 ' CD1' ' HB3' ' A' ' 57' ' ' ARG . 34.7 m0 -90.25 -33.84 16.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.451 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 HD21 HG13 ' A' ' 13' ' ' ILE . 61.7 mt -118.58 154.73 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.128 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -134.15 138.1 44.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.162 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 42' ' ' ARG . 17.7 mtp180 -86.33 101.48 13.13 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.9 m -91.34 -38.68 12.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.679 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -152.01 147.64 26.76 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 m -123.78 132.48 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.409 0.623 . . . . 0.0 111.826 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 49' ' ' ALA . 73.9 m-20 -113.14 167.11 10.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 173.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 m -52.15 103.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.26 0.35 . . . . 0.0 111.291 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 23.6 mmt180 67.54 18.06 9.99 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.313 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -136.33 115.12 12.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.017 0.437 . . . . 0.0 110.846 178.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.1 m -103.96 127.33 51.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.817 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -86.2 115.24 23.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.35 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.22 128.12 50.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -114.9 146.65 40.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.445 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -62.53 138.15 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.676 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.4 p -105.5 -171.57 1.93 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.927 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.92 -46.56 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 18.9 mmm180 -62.7 -40.2 96.38 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.4 -36.61 93.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.182 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.511 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 86.6 m -71.06 -44.57 65.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.348 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -62.34 -39.13 92.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 111.098 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.46 -29.61 59.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.0 tp -81.82 -6.72 59.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.057 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -73.63 95.47 2.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.382 0.61 . . . . 0.0 110.74 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.249 1.069 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.19 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 121.102 0.477 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.99 133.9 33.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.844 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -102.88 -179.7 4.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.809 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.26 68.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 111.226 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.02 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -70.92 -39.13 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -60.62 -38.63 85.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.306 0.574 . . . . 0.0 110.429 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -68.32 -34.82 76.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.595 HD23 HD21 ' A' ' 34' ' ' LEU . 8.9 tt -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.445 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -67.15 -27.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.88 0.372 . . . . 0.0 110.551 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -69.72 -38.27 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.97 -38.21 72.67 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.623 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.599 HG13 HD22 ' A' ' 40' ' ' LEU . 13.8 mm -57.13 -39.76 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.533 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.586 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 96.3 m-70 -72.19 -43.34 64.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.089 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -63.54 -21.96 66.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.383 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.5 m -81.34 -7.03 59.51 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.27 0.557 . . . . 0.0 110.646 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.24 4.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.753 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.7 -21.05 45.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.095 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.3 146.07 44.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.106 177.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 tpt85 -127.0 123.65 37.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.649 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 50' ' ' THR . 17.8 pt20 -107.98 111.35 23.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.724 0.773 . . . . 0.0 110.786 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t -106.27 133.81 49.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.688 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -74.74 -46.49 36.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.232 0.539 . . . . 0.0 110.612 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' HG ' ' A' ' 25' ' ' SER . . . 163.12 -116.25 0.7 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.257 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' 24' ' ' GLY . 81.9 p 50.26 -162.18 0.06 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.259 0.624 . . . . 0.0 110.848 -175.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -78.47 -15.62 58.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.064 -0.398 . . . . 0.0 110.453 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.19 -36.88 85.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.559 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -72.33 -21.99 61.24 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -51.55 -55.75 26.73 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.48 -28.21 77.62 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 121.862 1.708 . . . . 0.0 112.844 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.8 m-85 -65.4 -40.79 93.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 0.0 110.367 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.65 -23.49 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.231 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.72 -40.97 69.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.402 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 9' ' ' LEU . 10.9 mp -69.45 -23.8 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.128 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 98.5 t -63.36 -42.97 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 109.889 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.52 -40.5 97.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.715 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -22.86 65.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.233 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 23.87 22.71 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.183 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -97.38 -35.21 10.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 109.697 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD22 HG13 ' A' ' 13' ' ' ILE . 64.7 mt -119.8 148.86 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -137.27 125.35 22.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.694 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -96.14 111.46 23.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.194 0.521 . . . . 0.0 110.845 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p -115.43 -59.53 1.99 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.036 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -88.66 123.87 33.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.76 112.98 23.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.075 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -127.56 126.63 42.49 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.627 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 2.5 p 39.01 76.15 0.06 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.055 0.847 . . . . 0.0 112.382 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 47' ' ' SER . 6.7 ptp180 62.29 -23.8 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.661 1.584 . . . . 0.0 113.974 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 47' ' ' SER . . . -75.73 114.79 14.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.274 0.559 . . . . 0.0 110.746 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 31.7 m -97.41 119.83 36.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.32 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -87.61 118.91 27.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.651 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.535 ' HB3' HD21 ' A' ' 40' ' ' LEU . 97.3 m-85 -99.73 119.91 38.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.236 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.417 HE21 HG12 ' A' ' 54' ' ' ILE . 31.6 tp60 -96.2 133.14 40.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.117 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.417 HG12 HE21 ' A' ' 53' ' ' GLN . 34.5 pt -61.46 132.82 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.441 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -93.21 -176.33 4.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.5 -41.59 98.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.66 -47.71 74.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.672 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.32 -31.54 77.57 Favored Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.728 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.586 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.3 m -73.04 -39.74 65.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.965 0.412 . . . . 0.0 110.315 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.619 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 46.0 t -71.24 -46.51 60.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.861 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . . . -58.07 -40.93 82.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.906 0.384 . . . . 0.0 111.833 -174.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.84 65.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.165 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.9 tp -95.91 -4.92 42.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 60' ' ' SER . 98.0 mtt180 -82.38 74.25 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.045 0.45 . . . . 0.0 110.427 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.505 -0.76 . . . . 0.0 110.015 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 ttp . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.764 0.316 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.98 134.58 54.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.35 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 t -119.86 -179.82 4.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.245 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -59.34 -30.1 68.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.706 0.289 . . . . 0.0 111.479 -177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -59.54 -40.51 87.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -68.63 -35.21 76.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HA ' HG22 ' A' ' 10' ' ' ILE . 53.8 m-85 -62.36 -36.79 83.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.81 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 86.8 mttt -61.26 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.247 0.546 . . . . 0.0 109.816 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD21 HD11 ' A' ' 34' ' ' LEU . 6.7 tt -66.31 -48.82 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.429 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.6 -29.2 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 ttt180 -64.99 -43.34 92.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.111 0.481 . . . . 0.0 109.778 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.76 -36.24 69.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.246 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.605 HG13 HD22 ' A' ' 40' ' ' LEU . 11.8 mm -60.41 -38.73 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.573 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -74.48 -33.83 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.196 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -62.11 -30.47 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.652 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 p -87.99 11.05 16.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.671 0.272 . . . . 0.0 111.558 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.62 37.42 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.957 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.25 -1.8 26.73 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.703 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -135.05 134.97 40.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.77 119.67 15.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.44 -176.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -97.1 131.43 43.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.739 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.533 HG12 ' H ' ' A' ' 24' ' ' GLY . 44.4 t -127.16 131.24 70.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.98 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -80.66 -14.47 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 111.483 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 137.72 -142.97 13.91 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.358 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.6 m 70.92 -172.06 0.16 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.108 0.563 . . . . 0.0 111.07 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' H ' ' HD3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -57.65 -36.08 71.38 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.763 -176.105 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 40.9 mp0 -61.76 -33.3 73.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.836 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 36.8 tt0 -75.48 -22.61 57.09 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.805 -174.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -59.21 -53.0 70.61 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 19.3 Cg_endo -60.99 -26.9 83.95 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.548 1.499 . . . . 0.0 112.261 176.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' O ' HG21 ' A' ' 35' ' ' VAL . 25.0 m-85 -63.6 -44.97 92.44 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.925 0.393 . . . . 0.0 110.087 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.65 -32.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.144 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.53 -39.16 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.419 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD11 HD21 ' A' ' 9' ' ' LEU . 56.0 mt -68.96 -23.74 64.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 31' ' ' PHE . 57.9 t -66.69 -39.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.77 -35.5 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.229 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.24 -17.82 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.902 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.488 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 85.89 20.88 54.82 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.483 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 31.8 m0 -90.45 -36.05 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.605 HD22 HG13 ' A' ' 13' ' ' ILE . 38.8 mt -114.15 148.39 37.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -134.22 105.08 6.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.839 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -85.22 102.12 13.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.241 0.543 . . . . 0.0 110.156 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -112.26 5.82 18.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.245 -176.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.5 m -151.75 96.01 2.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 111.479 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.544 HG23 HG23 ' A' ' 50' ' ' THR . 42.5 t -93.62 94.51 4.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 171.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -91.65 106.11 18.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.752 -175.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.1 p 58.38 -76.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.482 1.113 . . . . 0.0 111.734 -174.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -132.15 -28.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.933 0.397 . . . . 0.0 110.403 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.46 114.84 11.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.344 0.592 . . . . 0.0 110.397 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.544 HG23 HG23 ' A' ' 45' ' ' VAL . 20.2 m -91.51 113.95 26.35 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.019 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -88.87 115.97 26.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.458 ' HB3' HD21 ' A' ' 40' ' ' LEU . 96.8 m-85 -99.73 125.27 45.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.418 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -106.08 142.47 35.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.076 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.98 137.99 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.528 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.4 p -96.54 177.38 5.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.31 -38.83 88.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.236 0.541 . . . . 0.0 109.724 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.488 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 37.8 ttm180 -68.58 -42.43 78.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.212 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.0 -28.51 72.19 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.0 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.3 m -73.43 -44.81 57.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.807 0.337 . . . . 0.0 110.331 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 t -62.24 -39.68 93.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.39 88.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.83 -23.43 61.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.194 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.3 tp -74.84 -1.02 20.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.501 0.667 . . . . 0.0 110.25 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -98.22 1.46 47.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.048 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.133 178.867 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.786 0.326 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' HB3' HD11 ' A' ' 37' ' ' LEU . . . -96.71 150.37 20.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.146 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 t -102.67 179.39 4.3 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.817 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.3 70.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -60.09 -40.4 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.53 -41.63 84.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.217 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.47 -35.39 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.531 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.23 -40.24 52.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.59 -41.6 83.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.44 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' A' ' 62' ' ' ALA . 10.7 tp -66.5 -28.58 43.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.135 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 3.6 tmt_? -68.96 -37.98 79.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.04 -35.85 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.099 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.546 HG13 HD22 ' A' ' 40' ' ' LEU . 19.0 mm -57.52 -41.27 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.155 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 79.5 m-70 -71.15 -38.14 72.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.082 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 m -62.12 -26.43 68.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -86.6 -0.23 55.77 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 0.0 110.844 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.5 16.21 11.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.532 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.55 0.68 90.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.266 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 19' ' ' ARG . 31.1 ttt180 -144.13 124.24 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -128.0 123.34 34.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.689 0.28 . . . . 0.0 110.391 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.51 130.82 49.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 0.0 110.878 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -127.01 138.55 54.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.311 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 85.5 m-85 -73.08 -54.86 7.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.1 0.476 . . . . 0.0 110.443 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.49 -130.3 2.13 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.894 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.9 m 59.2 -159.23 0.3 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.744 0.32 . . . . 0.0 110.607 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -73.34 -20.55 60.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.37 . . . . 0.0 110.88 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.01 -28.71 67.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.649 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -80.28 -22.41 41.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.682 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 38.7 ttpt -51.21 -53.63 46.8 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -175.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 27.0 Cg_endo -62.76 -28.1 75.97 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.796 1.664 . . . . 0.0 112.636 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.478 ' O ' HG22 ' A' ' 35' ' ' VAL . 38.0 m-85 -71.5 -41.8 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.262 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.66 -34.33 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.749 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.96 -40.36 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 37' ' ' LEU . 77.2 mt -66.8 -30.68 70.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 31' ' ' PHE . 73.3 t -65.23 -38.38 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.538 . . . . 0.0 109.905 174.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.61 -35.22 77.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 HD22 ' A' ' 34' ' ' LEU . 95.6 mt -76.17 -20.81 57.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.415 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 92.12 15.97 52.17 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.637 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -89.68 -31.94 17.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.658 . . . . 0.0 109.644 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.546 HD22 HG13 ' A' ' 13' ' ' ILE . 35.1 mt -118.3 155.8 29.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.461 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -146.99 132.68 18.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -85.13 101.63 12.61 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.419 0.628 . . . . 0.0 109.79 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.3 p -85.34 -13.59 49.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.91 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 51' ' ' HIS . 12.0 m -145.17 102.62 3.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.025 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.88 98.44 8.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.77 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -100.44 165.46 11.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.281 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.5 m -49.47 106.39 0.11 Allowed 'General case' 0 C--O 1.236 0.395 0 O-C-N 123.383 0.427 . . . . 0.0 110.958 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 67.57 -65.72 0.23 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.555 -174.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -59.87 113.65 2.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.499 0.666 . . . . 0.0 111.115 -177.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.0 m -106.78 125.36 50.91 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.412 -176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.514 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 66.2 m-70 -94.71 115.2 27.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.367 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -99.9 138.01 37.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.22 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -120.93 148.57 43.9 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 pt -64.56 133.28 30.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.506 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.0 p -97.74 -173.5 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.25 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -59.46 -50.45 73.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 83.2 mtt180 -65.77 -41.2 92.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.49 -30.21 76.12 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.487 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.568 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 89.9 m -73.34 -41.8 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.933 0.397 . . . . 0.0 110.173 175.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.4 t -64.16 -51.23 64.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.975 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.66 88.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.566 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . -73.55 -23.12 59.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.846 -175.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.1 tp -70.17 -22.77 62.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.44 . . . . 0.0 110.598 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 64' ' ' ARG . 20.3 mtm180 -91.47 1.09 57.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.992 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.021 176.421 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 121.052 0.453 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.83 146.44 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -119.94 179.89 4.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.786 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.74 -30.9 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.269 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -60.24 -37.5 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -70.12 -44.03 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' HA ' HG22 ' A' ' 10' ' ' ILE . 82.7 m-85 -60.71 -41.31 94.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.201 0.524 . . . . 0.0 110.596 176.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.43 -36.03 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.015 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.79 -44.57 27.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -68.34 -32.46 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.461 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -71.08 -30.37 66.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 109.82 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.313 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.26 -42.84 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.932 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.61 -40.54 76.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.978 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -61.56 -30.21 70.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.802 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -75.64 -15.11 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.594 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.25 -13.07 5.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.227 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.32 -1.35 26.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.545 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -145.91 131.78 19.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -130.76 119.89 22.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.441 -176.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -105.54 115.89 31.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.216 0.532 . . . . 0.0 110.632 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t -96.47 131.53 43.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.691 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 93.8 m-85 -85.49 20.26 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -172.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 25' ' ' SER . . . 89.59 118.85 1.79 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.289 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 23.2 t 173.17 177.93 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.669 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 1.8 mpt_? -70.1 -17.56 63.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.11 -26.74 68.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.777 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 9.2 tt0 -79.73 -21.0 45.09 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 61.6 tttm -52.84 -53.26 56.64 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.589 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 14.3 Cg_endo -58.48 -27.28 81.52 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.823 1.682 . . . . 0.0 112.519 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 40.3 m-85 -69.78 -48.67 58.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.689 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.31 -25.71 61.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.061 0.458 . . . . 0.0 110.131 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -40.74 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.325 172.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.9 mt -67.73 -27.74 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.662 177.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.92 -41.48 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.013 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.13 -37.3 86.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.135 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 HD23 ' A' ' 34' ' ' LEU . 93.3 mt -74.45 -17.42 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.927 176.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 89.54 15.52 58.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.522 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.4 m0 -88.53 -34.03 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.145 0.498 . . . . 0.0 110.584 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.8 mt -118.66 158.03 26.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.002 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -131.84 143.95 50.54 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.241 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -82.89 105.52 13.96 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.501 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 4.9 t -83.98 -39.3 19.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.297 -172.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 p -161.03 117.43 2.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.121 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.679 HG11 HG23 ' A' ' 50' ' ' THR . 19.1 m -93.24 140.38 16.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.164 0.507 . . . . 0.0 111.158 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.712 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 7.9 t70 -128.18 163.25 25.1 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.614 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.6 m -54.62 -30.26 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.385 0.428 . . . . 0.0 111.518 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -121.79 -52.2 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.023 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.712 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . -99.84 114.48 27.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.008 0.433 . . . . 0.0 112.051 -174.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.679 HG23 HG11 ' A' ' 45' ' ' VAL . 89.7 m -92.83 118.45 31.12 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -88.97 115.43 26.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.733 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -100.78 135.88 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.4 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 6.7 tt0 -110.23 142.78 41.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.068 -178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -67.84 146.52 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.969 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -112.89 -173.88 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.287 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.62 -48.36 75.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 97.1 mtt180 -60.88 -39.56 89.68 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.684 176.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.57 -33.41 86.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.212 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -73.4 -45.95 51.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.055 0.455 . . . . 0.0 110.305 176.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 t -65.99 -30.86 71.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.052 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.17 51.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.66 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.65 75.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.576 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.67 -29.65 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.215 0.531 . . . . 0.0 110.077 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -94.17 78.0 4.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.649 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.594 178.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtt . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.001 0.429 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.94 164.28 20.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.283 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.7 t -99.15 171.75 7.81 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.93 -30.03 69.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.78 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.79 -37.79 88.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.708 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' HB3' HD22 ' A' ' 34' ' ' LEU . 71.5 m-20 -67.44 -41.99 83.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' HA ' HG23 ' A' ' 10' ' ' ILE . 78.9 m-85 -62.18 -40.55 96.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.101 0.477 . . . . 0.0 110.552 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -61.62 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.416 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD23 ' CE2' ' A' ' 31' ' ' PHE . 9.1 tt -68.12 -47.76 67.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.015 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.442 HG23 ' HA ' ' A' ' 7' ' ' PHE . 10.6 tp -65.44 -29.28 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 110.465 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -70.88 -35.65 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 31.7 t70 -60.14 -35.17 74.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.561 HG13 HD21 ' A' ' 40' ' ' LEU . 13.0 mm -59.5 -37.46 70.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.4 m-70 -74.32 -37.55 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -67.01 -26.69 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.503 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -88.89 6.18 40.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.731 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 -0.22 24.43 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.128 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.8 -14.23 60.4 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.901 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -131.24 131.16 43.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -131.31 121.9 25.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -97.22 127.14 42.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.075 0.464 . . . . 0.0 110.139 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -126.43 136.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.247 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 95.8 m-85 -86.17 142.96 28.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.632 ' HA2' ' OE1' ' A' ' 28' ' ' GLN . . . -50.21 109.47 0.68 Allowed Glycine 0 C--N 1.331 0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.606 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.2 p -166.36 -179.37 4.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -62.31 -28.14 69.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.493 0.663 . . . . 0.0 109.851 174.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.65 -26.13 63.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.81 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.632 ' OE1' ' HA2' ' A' ' 24' ' ' GLY . 55.4 tt0 -78.4 -20.82 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.494 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -49.43 -53.94 35.24 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.481 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.2 Cg_endo -60.34 -31.05 92.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.987 1.791 . . . . 0.0 112.622 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CE2' HD23 ' A' ' 9' ' ' LEU . 86.2 m-85 -66.8 -49.08 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.7 -33.47 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.586 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.5 -42.85 86.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 64.2 mt -66.35 -24.25 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 31' ' ' PHE . 94.2 t -62.71 -38.84 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.974 0.416 . . . . 0.0 110.338 175.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.52 -36.22 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 34' ' ' LEU . 95.6 mt -69.3 -17.53 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.684 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.81 16.71 57.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.171 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.8 m0 -89.37 -33.38 16.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.305 0.574 . . . . 0.0 109.946 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD21 HG13 ' A' ' 13' ' ' ILE . 49.7 mt -118.71 150.45 39.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.768 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -129.87 125.95 36.82 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.34 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HD2' HG22 ' A' ' 50' ' ' THR . 36.5 mtm180 -84.03 102.7 12.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.9 p -83.09 -27.69 30.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.645 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.6 t -169.08 126.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.642 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.509 HG23 HG23 ' A' ' 50' ' ' THR . 22.7 t -101.39 88.68 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.197 0.522 . . . . 0.0 109.687 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -102.18 121.92 43.17 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.678 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t 62.02 -142.45 0.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 32.2 ttp-105 -86.42 1.12 52.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.889 0.376 . . . . 0.0 110.398 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.461 ' HB1' ' CE2' ' A' ' 23' ' ' PHE . . . -102.32 115.9 31.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.351 0.596 . . . . 0.0 111.671 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.509 HG23 HG23 ' A' ' 45' ' ' VAL . 63.4 m -93.92 126.97 39.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.041 176.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -88.16 121.19 30.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.68 0.276 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.487 ' HB3' HD23 ' A' ' 40' ' ' LEU . 93.5 m-85 -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.524 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -110.57 137.62 48.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.817 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 pt -64.93 135.02 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 p -101.41 -178.81 3.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -39.33 93.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -68.05 -42.78 79.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.242 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.19 -30.16 77.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.492 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 44.0 m -73.51 -44.93 56.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.026 0.441 . . . . 0.0 110.448 175.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -65.79 -40.9 92.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.13 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.26 89.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.72 -36.74 81.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.24 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -71.91 -65.69 0.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.826 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.251 1.142 0 O-C-N 123.656 0.597 . . . . 0.0 111.646 -176.305 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.3 128.14 34.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.792 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 t -112.95 179.54 3.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.155 174.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -55.06 -33.7 62.96 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.575 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 12.5 t70 -68.91 -32.17 71.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.896 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.77 -37.28 76.33 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.002 0.429 . . . . 0.0 110.049 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.409 ' HA ' HG21 ' A' ' 10' ' ' ILE . 62.7 m-85 -60.52 -36.79 79.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.11 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HE3' ' HA ' ' A' ' 5' ' ' ASP . 76.3 mttt -59.18 -49.91 76.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.443 0.64 . . . . 0.0 109.622 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 13' ' ' ILE . 7.7 tt -64.59 -46.77 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.946 -174.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 HG21 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.53 -31.81 55.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.976 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -72.1 -35.31 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.197 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.9 -38.22 72.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.584 HG13 HD23 ' A' ' 40' ' ' LEU . 13.3 mm -55.39 -39.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.916 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -69.25 -48.82 60.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.245 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.8 t -63.18 -30.17 71.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.208 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.3 m -72.94 -18.44 61.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.024 0.44 . . . . 0.0 110.968 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.54 22.04 1.53 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.35 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.2 -32.02 6.83 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.338 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -129.37 141.13 51.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.025 0.44 . . . . 0.0 110.442 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.71 121.57 33.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.99 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.67 131.9 41.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.103 0.477 . . . . 0.0 110.537 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t -121.24 116.45 49.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.024 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -96.45 -1.6 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.851 0.357 . . . . 0.0 110.665 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 28' ' ' GLN . . . -100.76 171.42 22.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.67 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t -105.68 -53.04 2.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.855 0.327 . . . . 0.0 110.878 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -28.38 67.08 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.164 0.507 . . . . 0.0 110.09 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.14 -32.16 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.693 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' HG2' ' HH ' ' A' ' 52' ' ' TYR . 28.1 tt0 -81.47 -22.23 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.779 -1.101 . . . . 0.0 112.094 -171.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 60.2 tttp -51.13 -51.94 63.28 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 19.2 Cg_endo -60.57 -30.44 90.62 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.942 1.762 . . . . 0.0 112.217 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' ' 35' ' ' VAL . 65.2 m-85 -68.36 -42.91 78.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.905 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.95 -32.75 74.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.713 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.1 -33.47 70.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.29 -26.76 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.641 176.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 31' ' ' PHE . 67.5 t -64.36 -37.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.214 0.531 . . . . 0.0 109.751 173.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.55 -35.25 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.519 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.94 -25.5 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.741 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.01 18.93 41.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.904 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -87.8 -34.26 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.265 0.555 . . . . 0.0 109.822 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.584 HD23 HG13 ' A' ' 13' ' ' ILE . 42.1 mt -116.75 149.4 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.029 177.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -136.35 134.73 38.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.092 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 42' ' ' ARG . 13.5 mtm-85 -74.25 104.97 5.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.319 178.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 p -79.39 -36.43 39.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -175.72 151.56 1.17 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.964 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.499 HG22 HG21 ' A' ' 50' ' ' THR . 41.4 t -105.67 98.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 172.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -115.28 126.2 54.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.612 -175.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.651 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 32.4 p 46.02 62.09 2.4 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.56 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 47' ' ' SER . 19.3 ptt180 64.6 -12.84 0.11 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.15 1.38 . . . . 0.0 113.013 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 47' ' ' SER . . . -95.27 115.45 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 0.0 110.89 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.499 HG21 HG22 ' A' ' 45' ' ' VAL . 23.8 m -83.67 121.83 27.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.837 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -88.28 117.67 27.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.361 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' HH ' ' HG2' ' A' ' 28' ' ' GLN . 97.1 m-85 -105.76 116.66 32.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 174.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -105.72 147.19 28.84 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.786 0.327 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -58.61 142.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.523 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 p -107.47 -176.41 3.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.806 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.41 -34.93 76.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.286 0.565 . . . . 0.0 110.071 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.87 -40.39 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.63 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.68 -31.04 78.65 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.032 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 58.3 m -72.74 -43.99 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.984 0.421 . . . . 0.0 110.38 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.7 t -65.15 -35.71 81.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.72 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.63 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.13 60.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.021 0.438 . . . . 0.0 110.969 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.04 -29.02 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.142 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -64.25 102.9 0.56 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.761 178.471 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.812 178.425 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.98 159.33 31.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.44 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t -109.0 -179.85 3.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.59 -31.99 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.867 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -30.6 68.44 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.601 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.7 -40.48 92.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -61.79 -37.84 85.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.404 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -70.76 -43.23 69.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.701 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.91 -44.24 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.677 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -69.23 -30.06 44.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -70.76 -35.48 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -37.3 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.818 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.469 HG13 HD22 ' A' ' 40' ' ' LEU . 17.7 mm -56.81 -41.18 75.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.093 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.709 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.5 m-70 -68.78 -42.93 76.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.6 m -65.79 -25.43 67.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 m -77.75 -12.11 59.94 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.219 0.533 . . . . 0.0 110.52 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.06 0.14 8.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.776 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.58 -11.89 53.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.637 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.21 137.34 48.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -132.16 114.87 15.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.79 0.328 . . . . 0.0 110.563 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -89.43 119.55 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.058 0.456 . . . . 0.0 110.019 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.0 t -123.97 135.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.948 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 94.2 m-85 -74.77 147.03 41.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.89 94.68 0.1 OUTLIER Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.018 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.3 p -161.43 -171.2 2.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.543 0.211 . . . . 0.0 110.543 -174.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HD2' ' N ' ' A' ' 27' ' ' GLU . 4.3 ppt_? -57.12 -25.27 58.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.308 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.557 ' N ' ' HD2' ' A' ' 26' ' ' ARG . 32.8 tt0 -75.6 -30.0 59.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.813 -178.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -80.13 -20.68 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.413 . . . . 0.0 110.59 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 14.5 tmtt? -50.61 -54.8 31.89 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.377 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.12 -22.63 54.14 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.724 1.616 . . . . 0.0 112.985 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -76.67 -40.12 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.525 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 2.0 pp20? -69.81 -25.59 63.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.247 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.79 -39.91 87.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.703 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 68.7 mt -65.36 -27.29 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.631 178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 48.5 t -63.66 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 174.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.25 -38.47 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.242 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -78.4 -12.55 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.634 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.81 19.41 57.97 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.456 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 26.2 m0 -91.01 -37.18 13.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 52.7 mt -121.78 157.5 30.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.606 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -146.39 118.88 8.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.441 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 50' ' ' THR . 29.0 ptt180 -93.2 147.89 22.5 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.141 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -144.73 -61.38 0.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 110.971 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.7 m -92.43 150.85 20.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.844 0.354 . . . . 0.0 111.323 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 HG11 ' HA ' ' A' ' 50' ' ' THR . 20.9 m -135.16 136.81 51.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.766 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.34 125.49 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.651 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 t 65.24 -80.04 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.779 0.674 . . . . 0.0 110.951 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 12.7 ttp180 -151.75 10.06 0.54 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.766 0.793 . . . . 0.0 108.98 176.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -106.47 117.9 35.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.833 -177.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.473 ' HA ' HG11 ' A' ' 45' ' ' VAL . 11.9 m -84.86 131.61 34.5 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.85 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -87.32 115.95 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.738 0.304 . . . . 0.0 110.642 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -98.09 125.55 43.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -102.29 138.84 38.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.1 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 pt -59.28 126.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 0.0 110.943 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.542 HG21 ' H ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -102.61 178.35 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' H ' HG21 ' A' ' 55' ' ' THR . 8.4 pt-20 -51.56 -52.29 48.44 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.511 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 84.9 mtt180 -71.39 -27.54 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.773 0.321 . . . . 0.0 110.445 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.35 -35.93 77.34 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.028 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.709 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 48.3 m -70.68 -38.12 73.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.994 0.426 . . . . 0.0 110.222 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.1 t -68.48 -39.01 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.921 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.98 74.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.578 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.63 59.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.272 0.558 . . . . 0.0 110.479 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 tp -94.76 -2.48 50.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.913 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -86.42 83.23 7.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.833 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.251 1.17 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.12 178.155 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.795 0.331 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.03 137.46 50.02 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -99.13 178.63 4.86 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.367 -0.379 . . . . 0.0 109.999 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.09 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.332 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.24 -38.73 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.946 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -69.97 -46.26 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -59.5 -38.06 79.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.233 0.54 . . . . 0.0 110.674 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -66.33 -41.62 89.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.54 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 30' ' ' PRO . 8.6 tt -68.84 -45.28 71.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.699 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.5 -29.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.539 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 11' ' ' ARG . 20.9 ttt180 -66.5 -39.21 88.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 109.699 175.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.14 -35.51 77.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.766 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.45 HG13 HD22 ' A' ' 40' ' ' LEU . 13.6 mm -58.29 -41.35 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 92.9 m-70 -68.2 -43.35 78.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.422 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -67.81 -19.69 65.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.23 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.5 m -80.66 -18.32 48.39 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.102 0.477 . . . . 0.0 110.535 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 8.18 4.47 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.789 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.68 5.99 68.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.584 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -146.73 142.5 27.86 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -141.95 129.24 21.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 50' ' ' THR . 4.0 pt20 -116.72 117.01 28.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.432 0.634 . . . . 0.0 111.076 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.499 HG13 ' H ' ' A' ' 24' ' ' GLY . 32.0 t -113.23 132.34 62.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.877 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 p90 -73.99 -19.94 60.49 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -177.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 156.04 -125.84 1.71 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.228 -0.986 . . . . 0.0 112.883 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m 61.92 -177.76 0.13 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.796 0.438 . . . . 0.0 110.511 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -78.43 -17.89 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.43 0.634 . . . . 0.0 109.396 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.64 -24.35 60.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.197 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 35.6 tt0 -76.15 -21.16 56.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.626 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tmtt? -57.33 -53.34 66.42 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-O 119.538 -0.267 . . . . 0.0 111.603 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' HD11 ' A' ' 34' ' ' LEU . 13.5 Cg_endo -57.42 -27.55 76.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.75 1.633 . . . . 0.0 112.144 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' ' 35' ' ' VAL . 33.4 m-85 -67.78 -50.43 57.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 110.206 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.9 -45.0 87.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.723 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 30' ' ' PRO . 8.5 mp -66.85 -25.15 66.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.077 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 94.5 t -61.48 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.112 173.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.98 -38.31 90.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.26 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.58 -25.29 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.66 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.84 47.55 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.212 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -89.99 -34.3 16.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.096 0.474 . . . . 0.0 110.823 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 58.4 mt -118.87 156.96 28.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.608 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -140.15 114.7 9.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.097 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' HIS . 27.0 ptt180 -74.44 112.41 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 t -95.3 -43.59 7.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.594 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 p -160.63 159.54 30.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.956 0.408 . . . . 0.0 111.314 -176.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.735 HG11 ' HA ' ' A' ' 50' ' ' THR . 30.2 m -125.25 147.85 29.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.433 177.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -130.09 119.57 23.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m 71.63 -56.03 0.65 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.026 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -176.12 -16.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.674 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -60.04 114.88 3.07 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 176.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.735 ' HA ' HG11 ' A' ' 45' ' ' VAL . 14.4 m -93.78 123.04 36.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.498 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 27.3 m-70 -89.26 115.09 26.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -104.69 119.16 38.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.809 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.56 149.07 25.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 pt -69.19 140.78 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.179 0.514 . . . . 0.0 111.858 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.1 p -108.92 -173.82 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.116 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.93 -47.57 85.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.6 -39.85 95.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.74 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.01 -29.84 75.15 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.092 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.464 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 31.3 m -73.86 -44.01 56.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 p -68.1 -33.62 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.371 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.43 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.839 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.73 71.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.54 -176.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.95 -24.05 62.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.224 0.535 . . . . 0.0 110.324 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -66.56 -30.71 71.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.92 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.061 -176.742 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.952 0.406 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.8 146.74 29.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.758 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -102.85 177.53 4.82 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -60.13 -31.05 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.009 -177.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -32.81 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.247 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.98 -36.72 62.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.97 0.414 . . . . 0.0 109.98 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' HA ' HG22 ' A' ' 10' ' ' ILE . 68.4 m-85 -59.72 -35.79 75.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.592 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 29.3 mtpp -62.84 -40.01 96.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.717 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.02 -43.91 66.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.35 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.4 tp -69.0 -30.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.73 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -63.83 -38.14 90.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.067 0.461 . . . . 0.0 109.866 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.63 -38.65 81.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.823 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.53 HG13 HD21 ' A' ' 40' ' ' LEU . 14.4 mm -57.95 -36.11 54.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 83.6 m-70 -73.39 -45.65 53.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.932 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -62.4 -33.94 75.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.074 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.45 HG21 ' HB2' ' A' ' 20' ' ' ARG . 13.8 t -81.27 12.25 3.69 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.872 0.368 . . . . 0.0 111.66 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.11 14.1 19.65 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.213 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.14 -7.01 83.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.793 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -146.55 133.98 20.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.892 0.377 . . . . 0.0 110.536 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HB2' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -128.95 129.06 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.658 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.8 134.86 44.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 0.0 110.329 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 28' ' ' GLN . 39.0 t -127.95 140.13 50.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.935 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -81.38 166.88 20.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.824 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.61 82.21 0.83 Allowed Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.723 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -150.59 -171.41 3.91 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.1 ttp180 -64.28 -29.12 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.662 0.268 . . . . 0.0 110.73 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.73 -26.61 46.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.929 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.473 ' HG2' ' HH ' ' A' ' 52' ' ' TYR . 33.6 tt0 -78.8 -21.61 47.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.314 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 15.4 tppt? -61.78 -51.17 77.93 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -175.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 18.1 Cg_endo -59.54 -21.96 64.38 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.948 1.765 . . . . 0.0 112.28 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 35' ' ' VAL . 49.6 m-85 -78.04 -38.69 44.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.249 176.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.32 -31.06 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.015 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.42 -38.92 75.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.172 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 66.3 mt -76.66 -28.58 56.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.919 177.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 31' ' ' PHE . 93.1 t -65.98 -40.55 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.971 0.415 . . . . 0.0 110.288 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.66 -34.15 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.396 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.97 -18.18 47.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.854 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.99 15.91 52.7 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.696 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.504 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 40.2 m0 -86.04 -32.95 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.249 0.547 . . . . 0.0 110.491 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD21 HG13 ' A' ' 13' ' ' ILE . 52.6 mt -119.12 161.29 20.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.448 177.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -137.4 120.0 16.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.285 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 10.7 ptm180 -102.48 105.05 15.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.052 175.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.4 m -116.83 -57.15 2.2 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.61 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.8 m -95.66 119.34 33.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.356 0.598 . . . . 0.0 111.558 -175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.601 HG12 HG23 ' A' ' 50' ' ' THR . 33.4 m -115.75 152.43 17.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.317 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.93 99.43 6.13 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t 67.0 -75.2 0.06 Allowed 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.825 0.703 . . . . 0.0 110.402 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -137.01 -25.21 1.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.759 0.314 . . . . 0.0 110.348 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.3 115.45 5.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.071 0.462 . . . . 0.0 110.119 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.601 HG23 HG12 ' A' ' 45' ' ' VAL . 31.4 m -101.77 127.65 48.46 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.616 -176.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -91.12 117.48 29.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.823 -177.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 42' ' ' ARG . 96.0 m-85 -104.15 123.8 47.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.074 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -112.32 150.5 30.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.305 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.3 pt -65.42 134.46 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -103.45 -174.24 2.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.546 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 1.8 mp0 -60.02 -50.23 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.24 -40.63 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.503 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.62 -34.29 89.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.21 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.573 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.38 -44.62 58.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.02 0.438 . . . . 0.0 110.337 175.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -61.24 -37.29 82.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.881 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.65 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.51 73.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 0.0 110.73 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.8 tp -76.84 -23.31 52.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.637 175.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 60.7 103.15 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.92 -1.036 . . . . 0.0 112.348 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.313 174.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.1 tpp . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . . . -83.14 148.61 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.604 -175.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.546 HG23 ' OD2' ' A' ' 6' ' ' ASP . 13.8 t -106.52 -178.85 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.28 -31.2 68.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 111.479 -178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 3' ' ' THR . 3.8 m-20 -69.59 -32.37 71.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.909 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.557 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 22.5 m-20 -71.26 -33.26 69.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HA ' HG21 ' A' ' 10' ' ' ILE . 49.3 m-85 -61.02 -35.1 75.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.339 172.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -66.78 -40.2 88.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.623 174.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 HD21 HD23 ' A' ' 34' ' ' LEU . 7.4 tt -64.49 -48.22 76.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.447 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 HG21 ' HA ' ' A' ' 7' ' ' PHE . 9.2 tp -67.94 -31.36 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.789 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HA ' ' HB3' ' A' ' 62' ' ' ALA . 41.9 ttm180 -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 9.5 t70 -56.08 -38.35 70.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.555 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.603 HG13 HD22 ' A' ' 40' ' ' LEU . 10.2 mm -58.02 -39.91 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.291 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.68 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.2 m-70 -72.23 -41.92 66.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -60.66 -31.04 70.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -83.76 4.12 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.393 0.616 . . . . 0.0 111.111 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.57 23.1 7.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.213 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.99 1.76 86.59 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.284 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -147.0 143.78 28.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -135.58 120.44 18.54 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 174.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -100.54 111.95 24.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.299 0.571 . . . . 0.0 110.214 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -109.37 136.97 43.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.642 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -107.21 146.49 31.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.779 0.324 . . . . 0.0 110.492 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 48' ' ' ARG . . . 106.61 -130.79 10.34 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.12 176.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.2 m -156.89 -37.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.798 0.332 . . . . 0.0 110.424 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -62.24 -44.15 97.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.877 0.37 . . . . 0.0 111.173 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -75.19 -25.72 58.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.369 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.618 ' HB3' ' HH ' ' A' ' 52' ' ' TYR . 84.6 mt-30 -77.03 -22.91 52.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.503 -177.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 87.7 tttt -48.52 -53.37 36.09 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -173.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 28.6 Cg_endo -63.3 -36.89 53.76 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.741 1.628 . . . . 0.0 112.216 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 35' ' ' VAL . 22.4 m-85 -63.56 -37.15 86.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 28' ' ' GLN . 41.2 mt-10 -61.83 -30.41 70.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.206 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.44 -35.91 63.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.41 . . . . 0.0 110.535 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD23 HD21 ' A' ' 9' ' ' LEU . 11.3 mp -68.76 -24.13 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.389 176.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 31' ' ' PHE . 86.1 t -63.47 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.902 173.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.41 -19.47 65.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.188 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.46 21.04 49.88 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.069 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -91.21 -37.04 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.349 0.595 . . . . 0.0 109.48 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.603 HD22 HG13 ' A' ' 13' ' ' ILE . 41.4 mt -115.73 160.73 19.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.816 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -138.19 131.35 30.18 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.726 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -86.56 112.78 21.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.12 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 49.1 m -149.84 163.15 38.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.09 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 51' ' ' HIS . 20.1 m 52.74 72.03 0.44 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.139 0.495 . . . . 0.0 111.211 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.614 HG11 HG22 ' A' ' 50' ' ' THR . 34.0 m -100.33 138.51 24.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.034 0.445 . . . . 0.0 110.998 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -130.56 98.46 4.67 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.4 p 48.79 -92.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.086 0.954 . . . . 0.0 112.152 -172.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 48' ' ' ARG . 14.6 mmt180 -96.72 -18.36 19.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.09 141.95 31.63 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.862 0.363 . . . . 0.0 110.564 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.614 HG22 HG11 ' A' ' 45' ' ' VAL . 60.6 m -142.29 124.69 15.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.827 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.521 ' HB2' ' O ' ' A' ' 43' ' ' SER . 11.2 m170 -81.43 117.61 22.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.27 175.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.618 ' HH ' ' HB3' ' A' ' 28' ' ' GLN . 92.7 m-85 -97.34 115.86 28.47 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -100.56 143.76 30.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.388 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.04 134.93 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.204 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.4 p -95.74 179.73 5.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.716 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.55 -46.02 90.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 174.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -65.64 -41.15 92.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.419 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.69 73.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.295 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.68 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.5 -44.92 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.941 0.401 . . . . 0.0 110.176 175.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.88 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.657 ' O ' ' HG2' ' A' ' 64' ' ' ARG . . . -66.4 -47.63 72.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.038 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 10' ' ' ILE . . . -75.84 -25.73 56.51 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.3 tp -80.72 -0.21 37.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.085 0.469 . . . . 0.0 111.347 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 8.1 ptm180 -71.75 175.03 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.337 0.589 . . . . 0.0 111.555 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.248 1.004 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 170.064 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.5 mtp . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.781 0.324 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.74 154.68 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.2 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.43 HG21 ' OD2' ' A' ' 6' ' ' ASP . 15.4 t -100.97 170.48 8.26 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.6 -32.51 67.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.818 0.342 . . . . 0.0 111.319 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.629 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 19.6 t70 -59.22 -40.87 87.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.531 ' HB3' HD23 ' A' ' 34' ' ' LEU . 66.5 m-20 -67.98 -37.92 82.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.618 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 53.5 m-85 -60.28 -41.99 94.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.73 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.629 ' HE2' ' HA ' ' A' ' 5' ' ' ASP . 48.1 mtmt -63.86 -41.83 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.308 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.12 -42.27 76.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.065 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.36 -32.69 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.712 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 73.2 mtp180 -71.96 -29.26 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.984 0.421 . . . . 0.0 110.222 175.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.63 -37.38 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.913 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.536 HG13 HD23 ' A' ' 40' ' ' LEU . 10.5 mm -59.28 -42.34 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.226 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -68.82 -42.53 77.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.214 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 m -60.74 -36.27 78.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -81.88 4.24 23.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.81 -13.55 7.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.061 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.64 14.24 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.142 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -131.67 149.05 52.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.2 tpm_? -140.43 119.76 13.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.203 -176.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -99.17 135.27 40.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.838 0.351 . . . . 0.0 110.158 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 24.1 t -123.44 140.05 48.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 64.4 m-85 -98.09 -33.19 11.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.783 0.325 . . . . 0.0 111.532 -172.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.665 ' O ' ' HG3' ' A' ' 28' ' ' GLN . . . -108.13 132.34 11.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.79 -172.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 m -58.73 -30.28 67.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 26' ' ' ARG . 5.3 mpt_? -64.99 -42.5 94.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.897 0.38 . . . . 0.0 110.328 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.22 -27.23 60.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.268 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.665 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 94.6 mt-30 -73.05 -21.42 60.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.868 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HB3' ' HE2' ' A' ' 29' ' ' LYS . 51.9 mtpt -44.39 -59.65 3.67 Favored Pre-proline 0 N--CA 1.469 0.481 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.39 -28.57 54.47 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.755 1.636 . . . . 0.0 112.254 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m-85 -71.56 -48.08 50.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.635 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 9.9 pt-20 -72.37 -23.96 61.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.916 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.17 -44.98 96.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.24 0.543 . . . . 0.0 109.611 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 6' ' ' ASP . 58.7 mt -68.17 -27.71 66.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.93 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 31' ' ' PHE . 78.9 t -63.2 -43.63 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.37 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.58 -33.87 74.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.497 HD13 HD21 ' A' ' 34' ' ' LEU . 89.3 mt -72.05 -24.32 61.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.636 175.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.56 9.52 46.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.931 176.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -85.13 -35.25 21.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.0 110.247 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD23 HG13 ' A' ' 13' ' ' ILE . 48.3 mt -115.02 157.63 23.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.676 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -133.63 134.3 43.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.668 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -88.99 102.94 15.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -85.71 -67.01 0.84 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.073 0.463 . . . . 0.0 110.675 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 m -125.4 122.4 36.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.105 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG22 HG23 ' A' ' 50' ' ' THR . 38.2 t -104.98 102.05 13.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 172.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -108.06 101.07 10.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.186 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.552 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 21.4 t 54.73 71.4 0.53 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.863 0.727 . . . . 0.0 110.327 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 47' ' ' SER . 24.8 ptt85 64.33 -31.31 0.12 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.66 1.584 . . . . 0.0 113.146 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 47' ' ' SER . . . -67.24 115.01 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.221 0.534 . . . . 0.0 110.184 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.466 HG23 HG22 ' A' ' 45' ' ' VAL . 90.5 m -105.48 122.59 46.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.716 -175.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -88.48 115.35 25.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -97.08 138.36 34.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -121.03 141.86 50.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.7 pt -65.78 131.62 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 111.24 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -96.31 -178.7 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.85 -42.68 84.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.35 -46.45 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.308 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.82 -29.0 71.07 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.383 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.413 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 23.9 m -73.99 -48.2 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.917 0.389 . . . . 0.0 110.073 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.485 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 32.4 t -61.19 -37.38 82.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.55 91.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.5 -29.16 59.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.092 0.473 . . . . 0.0 110.55 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.0 tp -79.35 -0.65 33.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.625 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 60' ' ' SER . 4.0 mmp_? -71.79 -16.06 62.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.989 0.423 . . . . 0.0 110.251 176.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.246 0.92 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.336 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' HB3' ' CB ' ' A' ' 6' ' ' ASP . . . -66.67 144.41 56.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 175.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.569 HG21 ' OD2' ' A' ' 6' ' ' ASP . 7.2 t -99.7 -179.04 4.06 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.54 70.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.665 0.269 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.489 ' H ' HG23 ' A' ' 3' ' ' THR . 36.4 t70 -71.05 -28.35 64.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.569 ' OD2' HG21 ' A' ' 3' ' ' THR . 8.1 m-20 -66.43 -42.98 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.51 ' HA ' HG21 ' A' ' 10' ' ' ILE . 70.6 m-85 -61.7 -42.05 98.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.96 173.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 26.3 tttm -57.56 -41.86 81.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.632 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.448 HD23 HD13 ' A' ' 34' ' ' LEU . 7.9 tt -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.945 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.51 HG21 ' HA ' ' A' ' 7' ' ' PHE . 11.2 tp -68.65 -31.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.901 -177.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 65' ' ' SER . 20.0 mtm180 -68.62 -37.44 79.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.07 -37.49 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.457 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.515 HG13 HD22 ' A' ' 40' ' ' LEU . 14.7 mm -58.38 -45.22 89.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.348 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -68.68 -37.73 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -68.45 -14.89 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.475 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -90.25 -1.33 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.462 0.648 . . . . 0.0 109.941 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.16 -5.69 23.54 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.04 -15.71 13.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.953 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -132.71 139.51 47.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -128.3 132.09 48.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.37 120.7 41.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.418 0.628 . . . . 0.0 111.095 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 t -124.32 131.08 73.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.171 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.584 ' HB2' ' HG3' ' A' ' 48' ' ' ARG . 26.5 p90 -98.74 20.74 12.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.83 -147.04 16.55 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.046 172.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.1 p 58.99 -171.81 0.11 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.481 1.112 . . . . 0.0 111.754 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -61.79 -22.55 65.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.811 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.0 -31.5 72.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.508 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -80.02 -21.89 43.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.538 0.209 . . . . 0.0 111.446 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.3 mmmt -54.78 -51.79 75.99 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 31.0 Cg_endo -66.64 -23.9 48.73 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 121.64 1.56 . . . . 0.0 112.458 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -75.07 -47.61 27.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.08 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.78 -24.62 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.536 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.73 -44.92 80.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 58.5 mt -64.44 -23.98 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.971 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.71 -39.54 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.979 0.419 . . . . 0.0 110.161 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.27 -36.69 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.156 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 HD12 HD23 ' A' ' 34' ' ' LEU . 98.4 mt -73.64 -17.48 61.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.3 2.92 60.28 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.85 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 24.5 m0 -77.69 -38.73 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.515 HD22 HG13 ' A' ' 13' ' ' ILE . 40.8 mt -114.05 156.04 24.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -132.6 121.31 23.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.753 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -75.85 107.56 8.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.6 t -91.43 -41.56 10.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.299 -171.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.4 p -158.98 147.13 17.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.999 0.428 . . . . 0.0 111.516 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.31 98.08 6.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -92.22 109.82 21.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.903 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.8 m 64.65 -81.96 0.03 OUTLIER 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.812 0.695 . . . . 0.0 109.37 -169.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HG3' ' HB2' ' A' ' 23' ' ' PHE . 11.1 ptm180 -141.26 0.94 1.56 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 169.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -81.35 114.68 20.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.536 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 m -83.07 116.46 22.31 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.811 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -83.52 114.77 21.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -96.45 121.0 37.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.32 0.581 . . . . 0.0 110.373 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -104.13 138.97 39.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.118 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.28 140.99 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.018 0.437 . . . . 0.0 111.398 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.0 p -107.93 -174.19 2.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.344 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -63.49 -49.42 73.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.224 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.72 -29.85 75.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.798 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.2 m -73.13 -46.77 49.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.836 0.35 . . . . 0.0 110.302 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -68.22 -37.38 80.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.22 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 111.09 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.508 ' HB1' ' HG2' ' A' ' 11' ' ' ARG . . . -71.33 -24.79 62.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.763 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.8 tp -77.63 -25.57 49.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.286 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -72.34 -56.38 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.557 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.526 ' O ' ' HD3' ' A' ' 11' ' ' ARG . 37.6 m . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.583 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.496 ' HB3' HD12 ' A' ' 37' ' ' LEU . . . -76.08 118.2 18.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -172.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.548 HG22 ' OD2' ' A' ' 6' ' ' ASP . 12.8 t -102.7 -179.93 4.11 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.16 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.987 0.423 . . . . 0.0 111.307 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' H ' HG21 ' A' ' 3' ' ' THR . 18.8 t70 -64.06 -41.85 97.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.01 177.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.548 ' OD2' HG22 ' A' ' 3' ' ' THR . 44.8 m-20 -65.32 -34.38 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -60.48 -35.35 75.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.15 -34.2 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.966 0.413 . . . . 0.0 110.224 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.75 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.3 tp -68.78 -29.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.481 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 35.7 ttm-85 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.553 ' HA ' ' OG ' ' A' ' 15' ' ' SER . 14.0 t70 -60.34 -34.36 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.098 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.51 HG13 HD22 ' A' ' 40' ' ' LEU . 17.4 mm -58.49 -36.13 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.329 0.585 . . . . 0.0 110.074 176.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.506 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.0 m-70 -75.34 -40.52 58.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.553 ' OG ' ' HA ' ' A' ' 12' ' ' ASP . 94.7 p -68.84 -28.75 67.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.203 -175.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.4 p -82.7 6.2 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.952 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 3.13 16.2 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.282 175.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.79 -8.34 57.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.948 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 7.0 ppt_? -146.3 146.9 30.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -129.96 126.43 37.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 50' ' ' THR . 15.4 pt20 -108.83 114.34 28.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.302 0.573 . . . . 0.0 110.636 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.1 t -114.61 135.76 53.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.994 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 9.6 p90 -63.57 -52.03 62.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.788 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' HB2' ' A' ' 28' ' ' GLN . . . 155.19 -150.73 22.3 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.094 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t 65.35 -157.35 0.28 Allowed 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.786 0.434 . . . . 0.0 110.373 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -63.86 -22.9 67.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.52 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.74 -40.69 95.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.725 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 35.8 tt0 -81.45 -21.3 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.442 -177.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 86.4 tttt -49.83 -50.02 70.24 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 37.3 Cg_endo -66.9 -27.77 43.08 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.634 1.556 . . . . 0.0 112.625 177.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -70.01 -42.86 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.221 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.63 -25.17 64.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.905 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 14.5 t70 -66.42 -36.25 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.136 0.493 . . . . 0.0 109.734 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' HA ' HD13 ' A' ' 37' ' ' LEU . 10.7 mp -73.6 -24.11 60.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.323 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.84 -42.28 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 109.652 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.05 -37.59 83.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.47 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' A' ' 2' ' ' ALA . 80.2 mt -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.269 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.16 21.11 55.98 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.824 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -92.27 -36.42 13.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.237 0.542 . . . . 0.0 109.902 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 13' ' ' ILE . 73.9 mt -114.93 148.09 39.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.465 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -127.58 132.35 49.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.922 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -78.69 151.18 32.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -157.56 -58.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.555 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.1 p -136.06 150.93 49.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 0.0 111.461 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 50' ' ' THR . 31.4 m -132.91 135.71 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.211 175.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -130.56 111.06 11.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.331 0.586 . . . . 0.0 109.851 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 48' ' ' ARG . 17.2 t 52.79 68.22 0.87 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.735 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 47' ' ' SER . 26.9 tpt180 75.78 -37.76 0.33 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.017 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -64.75 115.68 5.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.47 . . . . 0.0 111.53 -177.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.714 ' HA ' HG12 ' A' ' 45' ' ' VAL . 14.6 m -94.2 128.83 40.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.497 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -91.4 117.76 29.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.203 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' HB3' HD21 ' A' ' 40' ' ' LEU . 98.7 m-85 -104.88 120.71 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -101.54 148.53 25.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 pt -68.87 138.11 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -98.31 177.04 5.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.613 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.6 pm0 -70.34 -29.45 66.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.91 -44.23 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.58 70.6 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.947 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.506 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 77.8 m -69.85 -44.59 69.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.993 0.425 . . . . 0.0 110.4 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 22.5 t -67.17 -45.92 75.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.575 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.57 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.583 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . -65.89 -26.98 67.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.616 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.5 tp -84.33 -22.65 30.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.525 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 60' ' ' SER . 24.8 mmm180 -62.04 -40.59 96.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.277 -179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.254 1.293 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.317 -179.604 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.545 ' HB1' ' CB ' ' A' ' 6' ' ' ASP . . . -78.24 154.82 30.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.263 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.408 HG23 ' OD2' ' A' ' 6' ' ' ASP . 14.6 t -99.3 174.81 6.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.966 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.36 -32.49 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -74.11 -25.9 60.04 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.215 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.545 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 73.8 m-20 -72.86 -33.24 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -59.56 -37.18 77.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -65.46 -44.43 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.84 -45.18 93.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.804 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.55 -31.64 51.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.738 0.304 . . . . 0.0 110.94 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.53 -36.24 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.498 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.532 HG13 HD23 ' A' ' 40' ' ' LEU . 14.7 mm -58.09 -43.89 86.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.216 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -69.13 -41.01 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.007 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.3 m -63.15 -27.31 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.025 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 m -76.09 -18.74 59.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.832 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.57 -11.24 4.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.58 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 54' ' ' ILE . . . 120.72 -29.83 5.72 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -125.73 135.05 51.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 0.0 110.354 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -128.16 115.19 18.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.408 -175.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -90.81 129.33 36.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.075 0.464 . . . . 0.0 110.69 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 t -119.75 124.64 73.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.733 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 98.7 m-85 -68.48 -57.52 5.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.701 -175.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.42 94.21 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.537 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 m -150.36 175.38 11.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -62.51 -29.58 70.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.129 0.49 . . . . 0.0 109.958 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 17.4 mp0 -59.23 -24.79 63.46 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.483 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 41.7 tt0 -69.89 -22.36 63.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.706 0.288 . . . . 0.0 111.041 -177.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.34 -53.77 61.53 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.3 Cg_endo -58.28 -29.84 89.1 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.888 1.725 . . . . 0.0 112.639 176.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' ' 35' ' ' VAL . 43.1 m-85 -61.7 -43.8 98.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.13 0.49 . . . . 0.0 109.789 175.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.62 -31.18 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.375 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.11 -40.07 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.135 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.9 mt -65.61 -30.46 71.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.591 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -62.89 -42.12 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.215 0.531 . . . . 0.0 109.772 174.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.04 -33.55 76.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.21 -16.88 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.301 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.07 41.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 23.1 m0 -93.15 -35.9 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD23 HG13 ' A' ' 13' ' ' ILE . 61.9 mt -121.13 156.54 32.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.431 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -139.87 121.71 15.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.051 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -78.62 103.25 8.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.147 0.499 . . . . 0.0 110.093 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 3.3 p -128.17 140.45 51.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.056 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.2 m 57.04 66.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.339 0.59 . . . . 0.0 109.85 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG13 HG22 ' A' ' 50' ' ' THR . 14.2 m -83.39 105.69 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.535 0.684 . . . . 0.0 111.394 -175.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.02 162.0 28.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.492 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -76.97 -23.12 52.33 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -76.4 -60.49 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.816 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -140.01 144.68 37.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.143 0.497 . . . . 0.0 111.602 -175.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.454 HG22 HG13 ' A' ' 45' ' ' VAL . 24.5 m -85.49 120.13 26.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.777 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 43' ' ' SER . 12.3 m-70 -87.84 118.11 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.796 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HH ' ' HG2' ' A' ' 28' ' ' GLN . 96.3 m-85 -100.34 122.42 43.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -101.72 139.86 36.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.267 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 18' ' ' GLY . 22.3 pt -61.94 127.1 21.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.297 0.57 . . . . 0.0 111.008 176.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.432 HG21 ' H ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -102.8 174.25 5.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.175 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' H ' HG21 ' A' ' 55' ' ' THR . 33.8 tt0 -56.89 -51.27 69.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 111.639 -174.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -33.94 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.572 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.08 -31.91 72.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.478 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.7 m -70.4 -44.16 68.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.917 0.389 . . . . 0.0 110.478 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.7 t -67.44 -40.68 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.032 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.1 85.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.5 -23.59 66.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.506 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 tp -79.43 -12.69 59.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -78.06 146.3 35.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.346 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 C--O 1.244 0.808 0 CA-C-O 119.078 -0.487 . . . . 0.0 109.78 175.335 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -103.69 162.23 13.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.022 0.439 . . . . 0.0 111.359 -174.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 5' ' ' ASP . 15.3 t -123.93 -179.45 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.32 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.11 -31.74 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.0 111.57 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 3' ' ' THR . 13.0 m-20 -66.17 -30.53 71.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 9.7 m-20 -71.49 -35.61 70.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.145 177.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' HA ' HG23 ' A' ' 10' ' ' ILE . 67.8 m-85 -59.28 -39.51 83.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.517 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 85.8 mttt -60.07 -46.93 87.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.175 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.78 -44.89 80.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.845 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.474 HG23 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -67.24 -32.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.689 0.28 . . . . 0.0 111.139 -176.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 28.2 mtm180 -70.98 -31.57 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.93 -35.89 79.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.238 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.524 HG13 HD23 ' A' ' 40' ' ' LEU . 15.1 mm -57.5 -45.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.806 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 82.1 m-70 -67.6 -43.25 80.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.171 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 t -60.37 -37.29 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.84 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 m -69.27 -18.6 63.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.116 0.484 . . . . 0.0 111.0 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.67 -15.14 3.14 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.596 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.89 -3.24 10.82 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.783 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -146.66 151.87 37.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.419 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -137.29 120.98 17.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.53 123.16 43.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.098 0.475 . . . . 0.0 110.974 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t -112.49 128.32 69.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 99.3 m-85 -64.77 -72.82 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -169.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.21 76.73 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.498 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.0 p -148.27 -169.98 3.48 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -69.23 -14.42 62.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.024 0.44 . . . . 0.0 109.816 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.92 -25.93 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.12 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -71.53 -22.57 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 47.4 mmtt -63.38 -48.38 82.22 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 25.4 Cg_endo -64.32 -22.82 66.11 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.592 1.528 . . . . 0.0 112.215 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -80.57 -47.24 14.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 10.9 pt-20 -66.06 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.29 -39.48 89.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 0.0 109.926 175.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 37' ' ' LEU . 83.1 mt -68.88 -30.03 68.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.05 176.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 96.8 t -62.96 -39.33 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.406 0.622 . . . . 0.0 109.932 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.13 -39.87 86.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.537 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 34' ' ' LEU . 96.8 mt -71.46 -25.31 62.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.484 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 100.58 12.52 37.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.359 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 28.1 m0 -87.09 -39.04 15.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.22 0.534 . . . . 0.0 109.651 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 48.5 mt -114.08 161.52 17.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.27 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 44.9 tttp -145.52 134.09 22.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.794 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -91.3 101.08 13.78 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -103.68 -73.77 0.66 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -84.82 112.61 20.68 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG12 HG23 ' A' ' 50' ' ' THR . 14.1 m -118.82 119.71 61.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.373 0.606 . . . . 0.0 111.555 -178.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.606 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . 54.7 m-20 -113.88 152.86 30.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.127 175.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.1 p -73.18 -23.46 60.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.05 0.453 . . . . 0.0 109.963 175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.606 ' HG2' ' HB3' ' A' ' 46' ' ' ASP . 18.9 ptt180 -73.87 -34.96 64.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.709 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -168.65 127.17 1.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.89 0.376 . . . . 0.0 111.165 -176.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.58 HG23 HG12 ' A' ' 45' ' ' VAL . 77.0 m -84.61 125.84 32.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.176 176.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -94.98 117.0 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.472 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.4 m-85 -93.14 122.27 35.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.207 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.23 146.16 26.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.112 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.8 pt -66.58 126.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.31 0.576 . . . . 0.0 110.883 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.595 HG21 ' H ' ' A' ' 56' ' ' GLU . 1.3 m -102.09 177.44 4.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.849 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.595 ' H ' HG21 ' A' ' 55' ' ' THR . 14.2 mm-40 -54.84 -50.33 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.671 0.272 . . . . 0.0 111.295 -176.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 99.9 mtt180 -69.6 -27.42 65.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.97 -30.29 61.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.991 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.512 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 75.8 m -72.42 -45.11 61.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.766 0.317 . . . . 0.0 110.875 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 p -68.27 -32.95 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.068 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.708 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . -69.91 -24.21 63.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -85.87 -7.74 58.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.054 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -99.21 98.53 9.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.618 179.323 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.98 142.5 46.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.848 0.356 . . . . 0.0 110.362 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -120.63 -179.86 4.12 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.62 -30.31 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.269 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.61 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.176 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.11 -43.66 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.486 ' HA ' HG22 ' A' ' 10' ' ' ILE . 84.7 m-85 -60.65 -41.02 94.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.4 -43.12 99.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD21 HD13 ' A' ' 34' ' ' LEU . 6.5 tt -67.75 -44.5 77.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.567 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.0 tp -71.05 -33.02 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.291 -177.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.471 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 3.2 mtm180 -69.27 -33.38 73.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.37 -33.89 71.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.331 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.524 HG13 HD23 ' A' ' 40' ' ' LEU . 16.6 mm -60.83 -37.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.427 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 76.2 m-70 -72.9 -45.04 60.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.839 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -60.44 -32.66 71.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.845 -176.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -82.32 0.55 41.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.014 0.435 . . . . 0.0 111.401 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.93 -23.4 4.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.974 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.24 -13.93 7.88 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.906 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -133.87 145.66 49.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -132.99 121.43 22.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -100.33 111.1 23.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.335 0.588 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 28' ' ' GLN . 30.7 t -96.06 131.58 42.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 -178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -77.71 3.41 14.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 100.53 -166.86 19.77 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.179 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.3 m 67.99 -157.41 0.2 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 122.446 0.298 . . . . 0.0 111.079 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.493 HH11 ' HD3' ' A' ' 29' ' ' LYS . 10.9 tpp180 -61.53 -36.61 81.06 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.53 -26.66 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.567 ' HG2' ' HG3' ' A' ' 32' ' ' GLU . 6.9 tt0 -79.02 -21.38 47.02 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.278 -177.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' HD3' HH11 ' A' ' 26' ' ' ARG . 27.4 ttpp -51.98 -53.04 56.02 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 23.7 Cg_endo -62.32 -31.52 81.67 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.801 1.668 . . . . 0.0 112.349 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' O ' HG21 ' A' ' 35' ' ' VAL . 67.1 m-85 -70.44 -38.36 74.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 45.3 mt-10 -66.08 -29.36 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.577 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.04 -38.69 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.351 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 HD22 HD11 ' A' ' 37' ' ' LEU . 67.5 mt -66.75 -27.36 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 178.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 59.4 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.181 0.515 . . . . 0.0 110.173 174.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.38 -35.43 77.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.339 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.436 HD11 HD22 ' A' ' 34' ' ' LEU . 94.4 mt -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.706 175.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.05 12.9 62.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.255 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.404 ' CE3' HD23 ' A' ' 34' ' ' LEU . 41.4 m0 -85.73 -33.97 21.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.155 0.502 . . . . 0.0 110.195 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.524 HD23 HG13 ' A' ' 13' ' ' ILE . 39.6 mt -117.25 147.81 42.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.488 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -133.03 137.42 46.46 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.129 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.687 ' HB3' HG22 ' A' ' 45' ' ' VAL . 82.8 mtt180 -78.51 102.13 7.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.577 176.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -87.56 -70.51 0.62 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 51' ' ' HIS . 5.0 m -70.76 -38.2 73.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.254 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.687 HG22 ' HB3' ' A' ' 42' ' ' ARG . 45.9 t 53.0 83.54 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.326 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.652 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 26.2 t70 -112.75 142.54 45.26 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.808 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.7 m -79.81 -12.0 59.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.073 -172.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -97.08 -50.02 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . -134.49 114.43 12.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.827 174.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.8 m -76.16 110.59 10.77 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.93 0.395 . . . . 0.0 110.289 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 12.1 m170 -78.62 115.73 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.667 -178.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.0 m-85 -101.42 137.9 39.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.841 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -123.63 143.62 50.12 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -60.92 144.69 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.975 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.28 -172.97 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.488 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.0 -52.25 64.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.23 -42.07 90.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.482 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.3 -35.25 91.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.266 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.426 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 30.9 m -73.88 -39.13 64.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.822 0.344 . . . . 0.0 110.401 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.402 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.9 69.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.471 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . -74.66 -28.06 60.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.48 177.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 tp -78.31 -0.02 27.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.172 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.791 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -111.36 143.32 42.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.173 178.485 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.503 -0.76 . . . . 0.0 109.881 179.493 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 ptm . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.761 0.315 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.66 136.57 53.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 t -98.27 169.49 9.54 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.99 -30.85 66.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.812 0.339 . . . . 0.0 111.282 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 42.8 m-20 -65.81 -27.83 68.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -72.6 -38.92 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.29 -36.45 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.856 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 5' ' ' ASP . 88.8 mttt -63.95 -47.59 79.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.377 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.17 -45.76 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.468 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.5 tp -70.73 -32.43 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -64.51 -37.64 88.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.451 0.644 . . . . 0.0 109.563 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.68 -30.71 70.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.901 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG12 ' HA ' ' A' ' 10' ' ' ILE . 29.1 mm -56.16 -39.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.684 173.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -73.17 -39.36 65.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -66.68 -22.97 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.167 0.508 . . . . 0.0 110.42 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -83.11 -3.52 57.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.672 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.57 1.93 15.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.76 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.17 -6.19 61.57 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.868 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -133.62 151.42 51.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.1 tpt180 -146.66 132.1 18.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 50' ' ' THR . 5.1 pt20 -115.36 129.59 56.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 110.631 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG13 ' H ' ' A' ' 24' ' ' GLY . 40.3 t -126.92 134.62 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.938 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -77.01 -27.52 54.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.068 0.461 . . . . 0.0 111.035 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 140.03 -133.47 6.05 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.846 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t 62.85 -163.38 0.27 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.824 0.345 . . . . 0.0 110.43 177.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -61.91 -24.53 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.153 0.501 . . . . 0.0 110.815 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 36.7 mt-10 -61.62 -45.28 94.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.684 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -71.53 -21.93 61.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.02 -173.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -51.3 -56.11 23.15 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.8 Cg_endo -66.34 -27.6 47.55 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.785 1.657 . . . . 0.0 112.955 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' HD1' ' O ' ' A' ' 27' ' ' GLU . 67.5 m-85 -70.26 -47.68 60.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 -23.66 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.324 0.583 . . . . 0.0 109.869 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.49 -42.86 86.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.361 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 55.9 mt -67.32 -24.27 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.842 178.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 57.9 t -64.37 -39.91 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.77 -39.9 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.165 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.11 -13.57 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.158 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.81 26.9 43.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.28 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.2 m0 -97.53 -33.21 11.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.434 HD21 HG13 ' A' ' 13' ' ' ILE . 67.0 mt -121.06 153.25 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.922 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -138.15 136.46 36.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.107 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -85.21 101.56 12.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.4 t -82.94 -31.0 27.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.416 ' HB3' ' HB2' ' A' ' 51' ' ' HIS . 44.8 t -143.13 113.73 7.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.0 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.8 t -96.84 91.86 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.194 0.521 . . . . 0.0 109.879 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.695 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 7.7 t70 -79.26 155.59 28.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.765 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -58.22 -28.1 64.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.859 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -117.88 -42.2 2.85 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.987 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.695 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . -118.71 115.88 25.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.138 0.494 . . . . 0.0 111.944 -176.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 18.2 m -81.22 123.07 28.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 44' ' ' SER . 51.2 m-70 -92.04 116.07 28.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.16 143.83 29.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.554 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -122.62 143.12 49.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.859 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.9 pt -65.74 139.4 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 111.743 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -97.69 -177.0 3.64 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 2.0 pm0 -72.66 -38.18 67.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.467 175.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -69.2 -34.23 74.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.66 -31.96 79.78 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.038 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -72.97 -45.07 60.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 0.0 110.491 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -62.7 -39.11 92.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.69 81.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.89 -29.68 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.831 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -79.33 88.23 4.98 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.722 175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.093 179.1 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.408 HG22 ' OD2' ' A' ' 6' ' ' ASP . 11.2 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.15 -30.92 69.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.879 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.18 -30.31 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.378 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.408 ' OD2' HG22 ' A' ' 3' ' ' THR . 72.3 m-20 -75.98 -34.78 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.185 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' HA ' HG22 ' A' ' 10' ' ' ILE . 55.9 m-85 -60.23 -38.48 83.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 174.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.554 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.32 -46.37 23.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.328 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.1 tp -67.91 -32.12 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -70.79 -31.68 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.78 -36.07 80.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.499 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 20' ' ' ARG . 12.0 mm -56.79 -39.78 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.961 178.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -73.34 -39.61 65.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.352 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -67.22 -17.53 64.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.102 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -95.69 6.22 49.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.525 0.679 . . . . 0.0 110.422 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.94 -16.84 18.04 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.236 175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 -30.85 4.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.306 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -106.9 149.66 27.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' HB2' HG23 ' A' ' 13' ' ' ILE . 5.8 tpt85 -143.16 111.7 6.32 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 50' ' ' THR . 16.8 pt20 -96.14 126.47 41.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.083 0.468 . . . . 0.0 110.886 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.94 -179.837 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--O 1.233 0.216 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.7 mmmt -53.27 -53.68 53.41 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.561 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.0 Cg_endo -61.9 -25.39 78.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.712 1.608 . . . . 0.0 112.068 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -71.21 -48.5 51.04 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.604 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.6 pt-20 -72.51 -26.86 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.641 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.82 -37.7 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.873 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.0 mt -66.75 -29.54 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.282 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 88.9 t -63.58 -42.82 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 0.0 109.742 173.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.21 -37.4 87.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.39 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 34' ' ' LEU . 92.5 mt -75.42 -19.67 59.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.306 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.96 14.9 44.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.94 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -91.3 -33.76 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.202 0.525 . . . . 0.0 110.454 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 47.6 mt -119.24 162.11 19.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.859 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -139.79 121.61 15.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.533 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.453 ' NH2' ' HB3' ' A' ' 32' ' ' GLU . 2.4 ptp180 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.084 0.468 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 28.7 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -88.82 117.06 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.637 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -102.17 137.56 40.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.039 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.14 144.23 49.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.852 0.358 . . . . 0.0 110.368 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.34 141.34 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.417 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.7 p -101.78 -169.58 1.7 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.489 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -75.28 -35.61 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.46 -43.25 97.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.682 173.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.46 -31.02 79.34 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.061 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -73.23 -41.63 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 110.495 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t -65.92 -35.15 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.91 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 177.272 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.483 HG22 ' OD2' ' A' ' 6' ' ' ASP . 14.1 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.98 71.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 111.564 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.23 -38.72 90.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.779 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.483 ' OD2' HG22 ' A' ' 3' ' ' THR . 68.0 m-20 -66.32 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -63.53 -35.86 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.04 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -73.32 -36.05 66.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.331 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -45.61 84.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.559 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 tp -67.63 -28.93 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.596 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.26 -37.26 71.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.35 -34.32 70.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.785 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.552 HG13 HD21 ' A' ' 40' ' ' LEU . 17.0 mm -56.17 -41.85 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.304 0.574 . . . . 0.0 109.971 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.9 m-70 -69.15 -38.72 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.053 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.7 m -65.45 -22.51 66.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.18 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 20' ' ' ARG . 6.1 m -93.36 14.36 18.68 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.557 0.694 . . . . 0.0 110.535 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.47 8.88 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.658 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.55 -1.54 69.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.983 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.563 ' HD2' ' HB3' ' A' ' 51' ' ' HIS . 44.5 ttp180 -146.68 130.75 17.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HD2' HG21 ' A' ' 16' ' ' THR . 13.7 tpt180 -119.72 121.28 38.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.698 0.285 . . . . 0.0 110.723 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' THR . 24.9 pt20 -93.15 111.86 23.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 0.0 110.704 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.078 -178.443 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.7 mtmp? -54.05 -51.53 76.47 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -174.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 16.4 Cg_endo -58.93 -35.68 98.17 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.977 1.784 . . . . 0.0 112.281 176.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.65 -38.04 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.56 -27.05 65.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.135 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.65 -37.63 62.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.877 0.37 . . . . 0.0 110.396 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 65.7 mt -63.93 -27.28 69.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.333 177.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.32 -41.98 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.236 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.01 -32.63 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.607 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 HD23 ' A' ' 34' ' ' LEU . 92.0 mt -73.06 -23.4 60.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.574 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.11 31.85 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.251 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 37.0 m0 -94.84 -34.0 12.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.081 0.467 . . . . 0.0 110.212 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.552 HD21 HG13 ' A' ' 13' ' ' ILE . 45.0 mt -119.99 150.14 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.452 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -137.18 117.64 13.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.185 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.4 ptt180 . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 121.479 0.657 . . . . 0.0 111.91 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 24.8 m . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.563 ' HB3' ' HD2' ' A' ' 19' ' ' ARG . 56.0 m-70 -90.88 115.42 27.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.674 0.274 . . . . 0.0 110.536 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.448 ' HB3' HD22 ' A' ' 40' ' ' LEU . 87.0 m-85 -95.1 118.44 31.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.397 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 11.3 tp60 -94.69 142.86 26.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.615 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.9 pt -68.86 135.09 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.716 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 p -95.13 179.78 5.08 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.04 -38.64 88.9 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.53 -44.56 93.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.921 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.28 -28.34 70.72 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.247 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.606 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.0 m -71.96 -44.49 63.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 0.0 110.232 176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -68.24 -41.93 80.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.664 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.733 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 121.082 0.468 . . . . 0.0 111.076 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 5' ' ' ASP . 15.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.73 -36.24 46.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.581 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.5 ' H ' HG23 ' A' ' 3' ' ' THR . 1.8 m-20 -62.0 -37.32 84.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.047 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.486 ' OD1' HG22 ' A' ' 3' ' ' THR . 5.5 m-20 -70.03 -36.15 74.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' HA ' HG22 ' A' ' 10' ' ' ILE . 65.9 m-85 -61.08 -38.54 86.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.241 0.543 . . . . 0.0 110.495 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -70.94 -34.43 71.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.979 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD21 ' CE2' ' A' ' 31' ' ' PHE . 10.1 tt -73.81 -43.44 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.665 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -68.1 -26.61 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -68.07 -38.9 82.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -58.16 -37.13 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.632 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.535 HG13 HD21 ' A' ' 40' ' ' LEU . 12.4 mm -57.05 -39.48 66.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.177 0.513 . . . . 0.0 110.179 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 88.0 m-70 -73.84 -40.19 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.073 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 m -60.09 -35.36 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.967 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -77.85 -2.11 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.65 9.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.999 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.67 -16.86 60.29 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.8 mpt_? -125.43 144.74 50.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -136.39 114.29 11.29 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -89.23 128.8 35.86 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 28' ' ' GLN . 48.1 t . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.521 ' HA ' HG11 ' A' ' 22' ' ' VAL . 35.5 tt0 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 120.696 0.284 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -49.03 -54.05 32.33 Favored Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 31.1 Cg_endo -64.1 -33.58 61.05 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.728 1.619 . . . . 0.0 112.474 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 35' ' ' VAL . 88.3 m-85 -66.26 -42.17 88.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.95 -35.33 79.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.045 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.28 -40.48 77.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.568 HD23 HD12 ' A' ' 37' ' ' LEU . 77.6 mt -64.53 -26.82 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 178.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -61.74 -47.85 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.438 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.42 -37.0 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.49 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 HD23 ' A' ' 34' ' ' LEU . 95.0 mt -68.61 -19.19 64.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.517 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 91.64 14.47 56.77 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.549 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.449 ' CD1' ' HB3' ' A' ' 57' ' ' ARG . 34.7 m0 -90.25 -33.84 16.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.451 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.535 HD21 HG13 ' A' ' 13' ' ' ILE . 61.7 mt -118.58 154.73 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.128 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -134.15 138.1 44.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.162 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 17.7 mtp180 . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.839 0.352 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -86.2 115.24 23.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.35 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.22 128.12 50.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -114.9 146.65 40.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.445 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -62.53 138.15 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.676 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.4 p -105.5 -171.57 1.93 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.927 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.92 -46.56 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 18.9 mmm180 -62.7 -40.2 96.38 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.4 -36.61 93.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.182 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.522 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 86.6 m -71.06 -44.57 65.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.348 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -62.34 -39.13 92.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 111.098 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 178.543 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.8 t . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.26 68.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 111.226 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.405 ' H ' HG23 ' A' ' 3' ' ' THR . 1.4 m-20 -64.02 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -70.92 -39.13 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -60.62 -38.63 85.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.306 0.574 . . . . 0.0 110.429 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -68.32 -34.82 76.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 34' ' ' LEU . 8.9 tt -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.445 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -67.15 -27.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.88 0.372 . . . . 0.0 110.551 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -69.72 -38.27 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.97 -38.21 72.67 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.623 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.617 HG13 HD21 ' A' ' 40' ' ' LEU . 13.8 mm -57.13 -39.76 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.533 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 96.3 m-70 -72.19 -43.34 64.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.089 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -63.54 -21.96 66.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.383 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.5 m -81.34 -7.03 59.51 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.27 0.557 . . . . 0.0 110.646 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.24 4.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.753 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.7 -21.05 45.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.095 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.3 146.07 44.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.106 177.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 tpt85 -127.0 123.65 37.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.649 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' THR . 17.8 pt20 -107.98 111.35 23.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.724 0.773 . . . . 0.0 110.786 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.688 -178.26 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -51.55 -55.75 26.73 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.48 -28.21 77.62 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 121.862 1.708 . . . . 0.0 112.844 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.8 m-85 -65.4 -40.79 93.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 0.0 110.367 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.65 -23.49 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.231 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.72 -40.97 69.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.402 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 9' ' ' LEU . 10.9 mp -69.45 -23.8 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.128 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 98.5 t -63.36 -42.97 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 109.889 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.52 -40.5 97.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.715 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -22.86 65.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.233 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 23.87 22.71 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.183 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -97.38 -35.21 10.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 109.697 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.617 HD21 HG13 ' A' ' 13' ' ' ILE . 64.7 mt -119.8 148.86 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -137.27 125.35 22.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.694 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.194 0.521 . . . . 0.0 110.845 -178.752 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 31.7 m . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -87.61 118.91 27.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.651 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 40' ' ' LEU . 97.3 m-85 -99.73 119.91 38.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.236 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -96.2 133.14 40.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.117 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.5 pt -61.46 132.82 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.441 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -93.21 -176.33 4.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.5 -41.59 98.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.66 -47.71 74.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.672 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.32 -31.54 77.57 Favored Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.728 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.599 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.3 m -73.04 -39.74 65.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.965 0.412 . . . . 0.0 110.315 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.0 t -71.24 -46.51 60.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.93 82.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.906 0.384 . . . . 0.0 111.833 -174.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.165 -178.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.7 t . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -59.34 -30.1 68.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.706 0.289 . . . . 0.0 111.479 -177.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.447 ' H ' HG23 ' A' ' 3' ' ' THR . 13.9 t70 -59.54 -40.51 87.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -68.63 -35.21 76.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' ILE . 53.8 m-85 -62.36 -36.79 83.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.81 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 86.8 mttt -61.26 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.247 0.546 . . . . 0.0 109.816 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 34' ' ' LEU . 6.7 tt -66.31 -48.82 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.429 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.6 -29.2 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 ttt180 -64.99 -43.34 92.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.111 0.481 . . . . 0.0 109.778 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.76 -36.24 69.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.246 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.622 HG13 HD21 ' A' ' 40' ' ' LEU . 11.8 mm -60.41 -38.73 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.573 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.406 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.5 m-70 -74.48 -33.83 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.196 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -62.11 -30.47 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.652 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 p -87.99 11.05 16.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.671 0.272 . . . . 0.0 111.558 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.62 37.42 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.957 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.25 -1.8 26.73 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.703 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -135.05 134.97 40.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -137.77 119.67 15.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.44 -176.529 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -97.1 131.43 43.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.739 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.98 177.376 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 36.8 tt0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 78.3 mttt -59.21 -53.0 70.61 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 19.3 Cg_endo -60.99 -26.9 83.95 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.548 1.499 . . . . 0.0 112.261 176.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.0 m-85 -63.6 -44.97 92.44 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.925 0.393 . . . . 0.0 110.087 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.65 -32.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.144 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.53 -39.16 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.419 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 9' ' ' LEU . 56.0 mt -68.96 -23.74 64.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' PHE . 57.9 t -66.69 -39.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.77 -35.5 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.229 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD12 HD23 ' A' ' 34' ' ' LEU . 92.2 mt -75.24 -17.82 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.902 176.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.487 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 85.89 20.88 54.82 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.483 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 31.8 m0 -90.45 -36.05 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.622 HD21 HG13 ' A' ' 13' ' ' ILE . 38.8 mt -114.15 148.39 37.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -134.22 105.08 6.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.839 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 121.241 0.543 . . . . 0.0 110.156 177.667 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -88.87 115.97 26.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HB3' HD22 ' A' ' 40' ' ' LEU . 96.8 m-85 -99.73 125.27 45.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.418 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -106.08 142.47 35.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.076 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.98 137.99 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.528 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.4 p -96.54 177.38 5.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.31 -38.83 88.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.236 0.541 . . . . 0.0 109.724 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.487 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 37.8 ttm180 -68.58 -42.43 78.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.212 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.0 -28.51 72.19 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.0 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.406 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 56.3 m -73.43 -44.81 57.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.807 0.337 . . . . 0.0 110.331 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 t -62.24 -39.68 93.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.39 88.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.194 -178.508 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.7 t . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.628 0.251 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.3 70.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 3' ' ' THR . 10.3 m-20 -60.09 -40.4 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.53 -41.63 84.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.217 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.47 -35.39 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.531 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.23 -40.24 52.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.59 -41.6 83.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.44 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 62' ' ' ALA . 10.7 tp -66.5 -28.58 43.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.135 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 3.6 tmt_? -68.96 -37.98 79.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.04 -35.85 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.099 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.556 HG13 HD21 ' A' ' 40' ' ' LEU . 19.0 mm -57.52 -41.27 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.155 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 79.5 m-70 -71.15 -38.14 72.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.082 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 m -62.12 -26.43 68.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -86.6 -0.23 55.77 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 0.0 110.844 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.5 16.21 11.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.532 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.55 0.68 90.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.266 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 19' ' ' ARG . 31.1 ttt180 -144.13 124.24 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -128.0 123.34 34.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.689 0.28 . . . . 0.0 110.391 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.51 130.82 49.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 0.0 110.878 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.311 178.475 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 38.7 ttpt -51.21 -53.63 46.8 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -175.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 27.0 Cg_endo -62.76 -28.1 75.97 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.796 1.664 . . . . 0.0 112.636 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.0 m-85 -71.5 -41.8 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.262 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.66 -34.33 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.749 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.96 -40.36 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD23 HD12 ' A' ' 37' ' ' LEU . 77.2 mt -66.8 -30.68 70.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' PHE . 73.3 t -65.23 -38.38 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.538 . . . . 0.0 109.905 174.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.61 -35.22 77.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD12 HD23 ' A' ' 34' ' ' LEU . 95.6 mt -76.17 -20.81 57.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.415 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 92.12 15.97 52.17 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.637 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -89.68 -31.94 17.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.658 . . . . 0.0 109.644 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 13' ' ' ILE . 35.1 mt -118.3 155.8 29.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.461 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -146.99 132.68 18.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 . . . . . 0 N--CA 1.445 -0.715 0 CA-C-O 121.419 0.628 . . . . 0.0 109.79 177.35 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 120.643 0.259 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -94.71 115.2 27.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.367 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HB3' HD22 ' A' ' 40' ' ' LEU . 86.2 m-85 -99.9 138.01 37.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.22 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -120.93 148.57 43.9 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 pt -64.56 133.28 30.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.506 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.0 p -97.74 -173.5 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.25 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -59.46 -50.45 73.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.464 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 83.2 mtt180 -65.77 -41.2 92.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.49 -30.21 76.12 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.487 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.58 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 89.9 m -73.34 -41.8 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.933 0.397 . . . . 0.0 110.173 175.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.4 t -64.16 -51.23 64.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.975 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.66 88.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.566 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.846 -175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.74 -30.9 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.269 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -60.24 -37.5 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -70.12 -44.03 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.517 ' HA ' HG22 ' A' ' 10' ' ' ILE . 82.7 m-85 -60.71 -41.31 94.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.201 0.524 . . . . 0.0 110.596 176.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.43 -36.03 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.015 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.79 -44.57 27.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -68.34 -32.46 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.461 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -71.08 -30.37 66.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 109.82 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.313 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.26 -42.84 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.932 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.61 -40.54 76.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.978 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -61.56 -30.21 70.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.802 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -75.64 -15.11 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.594 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.25 -13.07 5.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.227 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.32 -1.35 26.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.545 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -145.91 131.78 19.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -130.76 119.89 22.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.441 -176.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -105.54 115.89 31.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.216 0.532 . . . . 0.0 110.632 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.691 -179.656 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 9.2 tt0 . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 61.6 tttm -52.84 -53.26 56.64 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 14.3 Cg_endo -58.48 -27.28 81.52 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.823 1.682 . . . . 0.0 112.519 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 40.3 m-85 -69.78 -48.67 58.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.689 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.31 -25.71 61.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.061 0.458 . . . . 0.0 110.131 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -40.74 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.325 172.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.9 mt -67.73 -27.74 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.662 177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.92 -41.48 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.013 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.13 -37.3 86.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.135 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 34' ' ' LEU . 93.3 mt -74.45 -17.42 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.927 176.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 89.54 15.52 58.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.522 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.4 m0 -88.53 -34.03 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.145 0.498 . . . . 0.0 110.584 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 40' ' ' LEU . 35.8 mt -118.66 158.03 26.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.002 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -131.84 143.95 50.54 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.241 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 . . . . . 0 C--N 1.315 -0.904 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.773 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -88.97 115.43 26.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.733 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -100.78 135.88 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.4 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -110.23 142.78 41.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.068 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -67.84 146.52 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.969 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -112.89 -173.88 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.287 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.62 -48.36 75.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 97.1 mtt180 -60.88 -39.56 89.68 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.684 176.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.57 -33.41 86.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.212 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -73.4 -45.95 51.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.055 0.455 . . . . 0.0 110.305 176.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 t -65.99 -30.86 71.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.052 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.17 51.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.66 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.576 -177.144 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.93 -30.03 69.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.78 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.79 -37.79 88.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.708 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 71.5 m-20 -67.44 -41.99 83.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HA ' HG22 ' A' ' 10' ' ' ILE . 78.9 m-85 -62.18 -40.55 96.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.101 0.477 . . . . 0.0 110.552 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -61.62 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.416 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 30' ' ' PRO . 9.1 tt -68.12 -47.76 67.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.015 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.6 tp -65.44 -29.28 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 110.465 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -70.88 -35.65 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 31.7 t70 -60.14 -35.17 74.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.574 HG13 HD21 ' A' ' 40' ' ' LEU . 13.0 mm -59.5 -37.46 70.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.4 m-70 -74.32 -37.55 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -67.01 -26.69 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.503 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -88.89 6.18 40.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.731 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 -0.22 24.43 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.128 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.8 -14.23 60.4 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.901 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -131.24 131.16 43.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.3 tpt180 -131.31 121.9 25.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -97.22 127.14 42.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.075 0.464 . . . . 0.0 110.139 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.247 -179.265 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -49.43 -53.94 35.24 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.2 Cg_endo -60.34 -31.05 92.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.987 1.791 . . . . 0.0 112.622 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 9' ' ' LEU . 86.2 m-85 -66.8 -49.08 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.7 -33.47 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.586 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.5 -42.85 86.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.2 mt -66.35 -24.25 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 31' ' ' PHE . 94.2 t -62.71 -38.84 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.974 0.416 . . . . 0.0 110.338 175.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.52 -36.22 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 34' ' ' LEU . 95.6 mt -69.3 -17.53 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.684 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.81 16.71 57.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.171 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.8 m0 -89.37 -33.38 16.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.305 0.574 . . . . 0.0 109.946 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 13' ' ' ILE . 49.7 mt -118.71 150.45 39.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.768 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -129.87 125.95 36.82 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.34 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HD2' HG21 ' A' ' 50' ' ' THR . 36.5 mtm180 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.498 HG21 ' HD2' ' A' ' 42' ' ' ARG . 63.4 m . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -88.16 121.19 30.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.68 0.276 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 40' ' ' LEU . 93.5 m-85 -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.524 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -110.57 137.62 48.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.817 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 pt -64.93 135.02 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 p -101.41 -178.81 3.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -39.33 93.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -68.05 -42.78 79.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.242 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.19 -30.16 77.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.503 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 44.0 m -73.51 -44.93 56.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.026 0.441 . . . . 0.0 110.448 175.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -65.79 -40.9 92.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.13 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -55.06 -33.7 62.96 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.564 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 12.5 t70 -68.91 -32.17 71.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.896 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.77 -37.28 76.33 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.002 0.429 . . . . 0.0 110.049 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' HA ' HG22 ' A' ' 10' ' ' ILE . 62.7 m-85 -60.52 -36.79 79.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.11 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' A' ' 5' ' ' ASP . 76.3 mttt -59.18 -49.91 76.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.443 0.64 . . . . 0.0 109.622 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.59 -46.77 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.946 -174.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.53 -31.81 55.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.976 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -72.1 -35.31 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.197 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.9 -38.22 72.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.6 HG13 HD21 ' A' ' 40' ' ' LEU . 13.3 mm -55.39 -39.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.916 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -69.25 -48.82 60.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.245 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.8 t -63.18 -30.17 71.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.208 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.3 m -72.94 -18.44 61.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.024 0.44 . . . . 0.0 110.968 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.54 22.04 1.53 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.35 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.2 -32.02 6.83 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.338 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -129.37 141.13 51.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.025 0.44 . . . . 0.0 110.442 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.71 121.57 33.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.99 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.67 131.9 41.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.103 0.477 . . . . 0.0 110.537 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.024 177.789 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 17.8 tt0 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 60.2 tttp -51.13 -51.94 63.28 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 19.2 Cg_endo -60.57 -30.44 90.62 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.942 1.762 . . . . 0.0 112.217 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.2 m-85 -68.36 -42.91 78.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.905 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.95 -32.75 74.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.713 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.1 -33.47 70.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.29 -26.76 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.641 176.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 31' ' ' PHE . 67.5 t -64.36 -37.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.214 0.531 . . . . 0.0 109.751 173.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.55 -35.25 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.519 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.94 -25.5 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.741 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.01 18.93 41.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.904 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -87.8 -34.26 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.265 0.555 . . . . 0.0 109.822 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.6 HD21 HG13 ' A' ' 13' ' ' ILE . 42.1 mt -116.75 149.4 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.029 177.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -136.35 134.73 38.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.092 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 42' ' ' ARG . 13.5 mtm-85 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.319 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -88.28 117.67 27.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.361 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' HB3' HD22 ' A' ' 40' ' ' LEU . 97.1 m-85 -105.76 116.66 32.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 174.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -105.72 147.19 28.84 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.786 0.327 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -58.61 142.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.523 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 p -107.47 -176.41 3.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.806 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.41 -34.93 76.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.286 0.565 . . . . 0.0 110.071 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.87 -40.39 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.63 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.68 -31.04 78.65 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.032 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 58.3 m -72.74 -43.99 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.984 0.421 . . . . 0.0 110.38 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.7 t -65.15 -35.71 81.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.72 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.63 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.021 0.438 . . . . 0.0 110.969 -179.701 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.59 -31.99 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.867 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -30.6 68.44 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.601 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.7 -40.48 92.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -61.79 -37.84 85.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.404 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -70.76 -43.23 69.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.701 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.91 -44.24 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.677 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -69.23 -30.06 44.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -70.76 -35.48 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -37.3 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.818 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.477 HG13 HD21 ' A' ' 40' ' ' LEU . 17.7 mm -56.81 -41.18 75.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.093 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.717 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.5 m-70 -68.78 -42.93 76.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.6 m -65.79 -25.43 67.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 m -77.75 -12.11 59.94 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.219 0.533 . . . . 0.0 110.52 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.06 0.14 8.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.776 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.58 -11.89 53.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.637 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.21 137.34 48.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -132.16 114.87 15.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.79 0.328 . . . . 0.0 110.563 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -89.43 119.55 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.058 0.456 . . . . 0.0 110.019 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.948 -178.813 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.968 0.413 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 14.5 tmtt? -50.61 -54.8 31.89 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.377 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.12 -22.63 54.14 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.724 1.616 . . . . 0.0 112.985 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -76.67 -40.12 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.525 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 2.0 pp20? -69.81 -25.59 63.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.247 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.79 -39.91 87.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.703 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 68.7 mt -65.36 -27.29 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.631 178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 48.5 t -63.66 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 174.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.25 -38.47 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.242 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -78.4 -12.55 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.634 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.81 19.41 57.97 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.456 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 26.2 m0 -91.01 -37.18 13.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 52.7 mt -121.78 157.5 30.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.606 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -146.39 118.88 8.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.441 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.483 ' HD2' HG21 ' A' ' 50' ' ' THR . 29.0 ptt180 . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.141 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.483 HG21 ' HD2' ' A' ' 42' ' ' ARG . 11.9 m . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -87.32 115.95 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.738 0.304 . . . . 0.0 110.642 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -98.09 125.55 43.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -102.29 138.84 38.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.1 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 pt -59.28 126.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 0.0 110.943 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -102.61 178.35 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 55' ' ' THR . 8.4 pt-20 -51.56 -52.29 48.44 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 84.9 mtt180 -71.39 -27.54 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.773 0.321 . . . . 0.0 110.445 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.35 -35.93 77.34 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.028 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.717 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 48.3 m -70.68 -38.12 73.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.994 0.426 . . . . 0.0 110.222 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.1 t -68.48 -39.01 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.921 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.98 74.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.578 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.272 0.558 . . . . 0.0 110.479 177.523 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 5' ' ' ASP . 13.3 t . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.09 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.332 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.401 ' H ' HG23 ' A' ' 3' ' ' THR . 22.1 t70 -62.24 -38.73 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.946 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -69.97 -46.26 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -59.5 -38.06 79.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.233 0.54 . . . . 0.0 110.674 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -66.33 -41.62 89.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.54 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 30' ' ' PRO . 8.6 tt -68.84 -45.28 71.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.699 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.5 -29.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.539 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 11' ' ' ARG . 20.9 ttt180 -66.5 -39.21 88.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 109.699 175.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.14 -35.51 77.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.766 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.458 HG13 HD21 ' A' ' 40' ' ' LEU . 13.6 mm -58.29 -41.35 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 92.9 m-70 -68.2 -43.35 78.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.422 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -67.81 -19.69 65.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.23 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.423 HG21 ' HD2' ' A' ' 20' ' ' ARG . 36.5 m -80.66 -18.32 48.39 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.102 0.477 . . . . 0.0 110.535 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 8.18 4.47 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.789 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.68 5.99 68.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.584 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -146.73 142.5 27.86 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 16' ' ' THR . 18.5 tpt180 -141.95 129.24 21.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 50' ' ' THR . 27.1 pt20 -116.72 117.01 28.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.432 0.634 . . . . 0.0 111.076 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.877 -179.649 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 35.6 tt0 . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tmtt? -57.33 -53.34 66.42 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-O 119.538 -0.267 . . . . 0.0 111.603 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.488 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.5 Cg_endo -57.42 -27.55 76.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.75 1.633 . . . . 0.0 112.144 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.4 m-85 -67.78 -50.43 57.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 9.8 pt-20 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 110.206 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.9 -45.0 87.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.723 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 30' ' ' PRO . 8.5 mp -66.85 -25.15 66.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.077 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 94.5 t -61.48 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.112 173.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.98 -38.31 90.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.26 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.58 -25.29 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.66 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.84 47.55 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.212 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -89.99 -34.3 16.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.096 0.474 . . . . 0.0 110.823 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 58.4 mt -118.87 156.96 28.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.608 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -140.15 114.7 9.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.097 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' HIS . 27.0 ptt180 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 14.4 m . . . . . 0 N--CA 1.447 -0.606 0 CA-C-O 120.644 0.259 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 27.3 m-70 -89.26 115.09 26.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' HB3' HD22 ' A' ' 40' ' ' LEU . 96.0 m-85 -104.69 119.16 38.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.809 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.56 149.07 25.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 pt -69.19 140.78 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.179 0.514 . . . . 0.0 111.858 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.1 p -108.92 -173.82 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.116 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.93 -47.57 85.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.6 -39.85 95.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.74 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.01 -29.84 75.15 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.092 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.473 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 31.3 m -73.86 -44.01 56.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 p -68.1 -33.62 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.371 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.43 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.839 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.54 -176.165 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -60.13 -31.05 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.009 -177.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -32.81 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.247 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.98 -36.72 62.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.97 0.414 . . . . 0.0 109.98 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' HA ' HG22 ' A' ' 10' ' ' ILE . 68.4 m-85 -59.72 -35.79 75.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.592 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 29.3 mtpp -62.84 -40.01 96.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.717 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.02 -43.91 66.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.35 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.4 tp -69.0 -30.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.73 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -63.83 -38.14 90.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.067 0.461 . . . . 0.0 109.866 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.63 -38.65 81.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.823 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.542 HG13 HD21 ' A' ' 40' ' ' LEU . 14.4 mm -57.95 -36.11 54.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 83.6 m-70 -73.39 -45.65 53.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.932 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -62.4 -33.94 75.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.074 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.457 HG21 ' HB2' ' A' ' 20' ' ' ARG . 13.8 t -81.27 12.25 3.69 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.872 0.368 . . . . 0.0 111.66 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.11 14.1 19.65 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.213 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.14 -7.01 83.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.793 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -146.55 133.98 20.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.892 0.377 . . . . 0.0 110.536 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HB2' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -128.95 129.06 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.658 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.8 134.86 44.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 0.0 110.329 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 28' ' ' GLN . 39.0 t . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.935 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' HA ' HG11 ' A' ' 22' ' ' VAL . 33.6 tt0 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.609 0.243 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 15.4 tppt? -61.78 -51.17 77.93 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -175.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 18.1 Cg_endo -59.54 -21.96 64.38 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.948 1.765 . . . . 0.0 112.28 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.6 m-85 -78.04 -38.69 44.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.249 176.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.32 -31.06 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.015 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.42 -38.92 75.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.172 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 66.3 mt -76.66 -28.58 56.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.919 177.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 31' ' ' PHE . 93.1 t -65.98 -40.55 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.971 0.415 . . . . 0.0 110.288 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.66 -34.15 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.396 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.97 -18.18 47.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.854 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.99 15.91 52.7 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.696 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 40.2 m0 -86.04 -32.95 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.249 0.547 . . . . 0.0 110.491 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.542 HD21 HG13 ' A' ' 13' ' ' ILE . 52.6 mt -119.12 161.29 20.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.448 177.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -137.4 120.0 16.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.285 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 10.7 ptm180 . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.052 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.447 -0.586 0 CA-C-O 120.637 0.256 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -91.12 117.48 29.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.823 -177.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 42' ' ' ARG . 96.0 m-85 -104.15 123.8 47.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.074 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -112.32 150.5 30.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.305 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.3 pt -65.42 134.46 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -103.45 -174.24 2.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.546 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.498 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 1.8 mp0 -60.02 -50.23 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.24 -40.63 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.503 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.62 -34.29 89.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.21 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.578 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.38 -44.62 58.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.02 0.438 . . . . 0.0 110.337 175.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -61.24 -37.29 82.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.881 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.65 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 0.0 110.73 -179.815 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.559 HG22 ' OD2' ' A' ' 6' ' ' ASP . 13.8 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' A' ' 7' ' ' PHE . . . -59.28 -31.2 68.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.539 ' H ' HG23 ' A' ' 3' ' ' THR . 3.8 m-20 -69.59 -32.37 71.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.909 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.559 ' OD2' HG22 ' A' ' 3' ' ' THR . 22.5 m-20 -71.26 -33.26 69.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' ILE . 49.3 m-85 -61.02 -35.1 75.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.339 172.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -66.78 -40.2 88.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.623 174.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD22 HD22 ' A' ' 34' ' ' LEU . 7.4 tt -64.49 -48.22 76.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.447 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG23 ' HB2' ' A' ' 62' ' ' ALA . 9.2 tp -67.94 -31.36 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.789 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 41.9 ttm180 -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 9.5 t70 -56.08 -38.35 70.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.555 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.631 HG13 HD21 ' A' ' 40' ' ' LEU . 10.2 mm -58.02 -39.91 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.291 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.692 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.2 m-70 -72.23 -41.92 66.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -60.66 -31.04 70.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -83.76 4.12 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.393 0.616 . . . . 0.0 111.111 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.57 23.1 7.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.213 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.99 1.76 86.59 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.284 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -147.0 143.78 28.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 4.6 tpp180 -135.58 120.44 18.54 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -100.54 111.95 24.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.299 0.571 . . . . 0.0 110.214 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.642 -179.74 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 84.6 mt-30 . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 87.7 tttt -48.52 -53.37 36.09 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -173.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 28.6 Cg_endo -63.3 -36.89 53.76 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.741 1.628 . . . . 0.0 112.216 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.4 m-85 -63.56 -37.15 86.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 28' ' ' GLN . 41.2 mt-10 -61.83 -30.41 70.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.206 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.44 -35.91 63.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.41 . . . . 0.0 110.535 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.463 HD22 HD22 ' A' ' 9' ' ' LEU . 11.3 mp -68.76 -24.13 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.389 176.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' PHE . 86.1 t -63.47 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.902 173.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.41 -19.47 65.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.188 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.46 21.04 49.88 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.069 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -91.21 -37.04 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.349 0.595 . . . . 0.0 109.48 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.631 HD21 HG13 ' A' ' 13' ' ' ILE . 41.4 mt -115.73 160.73 19.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.816 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 34.1 ttpt -138.19 131.35 30.18 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.726 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.12 -177.888 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.793 0.33 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -81.43 117.61 22.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.27 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 40' ' ' LEU . 92.7 m-85 -97.34 115.86 28.47 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -100.56 143.76 30.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.388 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.04 134.93 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.204 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.4 p -95.74 179.73 5.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.716 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.55 -46.02 90.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 174.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -65.64 -41.15 92.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.419 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.69 73.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.295 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.692 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.5 -44.92 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.941 0.401 . . . . 0.0 110.176 175.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.88 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.4 -47.63 72.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.038 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 10' ' ' ILE . . . . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 6' ' ' ASP . 15.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.6 -32.51 67.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.818 0.342 . . . . 0.0 111.319 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.666 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 19.6 t70 -59.22 -40.87 87.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.547 ' HB3' HD21 ' A' ' 34' ' ' LEU . 66.5 m-20 -67.98 -37.92 82.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 53.5 m-85 -60.28 -41.99 94.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.73 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 5' ' ' ASP . 48.1 mtmt -63.86 -41.83 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.308 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 10.2 tt -69.12 -42.27 76.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.065 -176.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.36 -32.69 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.712 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 73.2 mtp180 -71.96 -29.26 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.984 0.421 . . . . 0.0 110.222 175.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 16.1 t70 -60.63 -37.38 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.913 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.549 HG13 HD21 ' A' ' 40' ' ' LEU . 10.5 mm -59.28 -42.34 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.226 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -68.82 -42.53 77.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.214 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 m -60.74 -36.27 78.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -81.88 4.24 23.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.81 -13.55 7.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.061 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.64 14.24 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.142 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -131.67 149.05 52.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.2 tpm_? -140.43 119.76 13.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.203 -176.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -99.17 135.27 40.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.838 0.351 . . . . 0.0 110.158 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 24.1 t . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 94.6 mt-30 . . . . . 0 C--O 1.225 -0.19 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 29' ' ' LYS . 51.9 mtpt -44.39 -59.65 3.67 Favored Pre-proline 0 N--CA 1.469 0.481 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 36.7 Cg_endo -65.39 -28.57 54.47 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.755 1.636 . . . . 0.0 112.254 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m-85 -71.56 -48.08 50.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.635 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 9.9 pt-20 -72.37 -23.96 61.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.916 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.17 -44.98 96.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.24 0.543 . . . . 0.0 109.611 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 6' ' ' ASP . 58.7 mt -68.17 -27.71 66.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.93 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' PHE . 78.9 t -63.2 -43.63 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.37 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.58 -33.87 74.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.518 HD12 HD23 ' A' ' 34' ' ' LEU . 89.3 mt -72.05 -24.32 61.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.636 175.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.56 9.52 46.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.931 176.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -85.13 -35.25 21.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.0 110.247 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD21 HG13 ' A' ' 13' ' ' ILE . 48.3 mt -115.02 157.63 23.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.676 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 85.9 tttt -133.63 134.3 43.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.668 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.588 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.445 -0.693 0 CA-C-O 120.894 0.378 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -88.48 115.35 25.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 94.2 m-85 -97.08 138.36 34.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -121.03 141.86 50.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.7 pt -65.78 131.62 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 111.24 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -96.31 -178.7 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.85 -42.68 84.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.35 -46.45 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.308 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.82 -29.0 71.07 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.383 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.428 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 23.9 m -73.99 -48.2 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.917 0.389 . . . . 0.0 110.073 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -61.19 -37.38 82.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.55 91.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.092 0.473 . . . . 0.0 110.55 178.73 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.578 HG22 ' OD2' ' A' ' 6' ' ' ASP . 7.2 t . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.54 70.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.665 0.269 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.563 ' H ' HG23 ' A' ' 3' ' ' THR . 36.4 t70 -71.05 -28.35 64.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.578 ' OD2' HG22 ' A' ' 3' ' ' THR . 8.1 m-20 -66.43 -42.98 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' HA ' HG22 ' A' ' 10' ' ' ILE . 70.6 m-85 -61.7 -42.05 98.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.96 173.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 26.3 tttm -57.56 -41.86 81.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.632 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 34' ' ' LEU . 7.9 tt -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.945 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 7' ' ' PHE . 11.2 tp -68.65 -31.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.901 -177.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 20.0 mtm180 -68.62 -37.44 79.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.07 -37.49 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.457 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.523 HG13 HD21 ' A' ' 40' ' ' LEU . 14.7 mm -58.38 -45.22 89.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.348 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -68.68 -37.73 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -68.45 -14.89 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.475 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -90.25 -1.33 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.462 0.648 . . . . 0.0 109.941 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.16 -5.69 23.54 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.04 -15.71 13.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.953 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -132.71 139.51 47.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' ' HE2' ' A' ' 31' ' ' PHE . 25.4 tpt180 -128.3 132.09 48.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.37 120.7 41.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.418 0.628 . . . . 0.0 111.095 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.171 179.273 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.538 0.209 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.3 mmmt -54.78 -51.79 75.99 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 31.0 Cg_endo -66.64 -23.9 48.73 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 121.64 1.56 . . . . 0.0 112.458 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' HE2' ' HG2' ' A' ' 20' ' ' ARG . 44.2 m-85 -75.07 -47.61 27.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.08 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.78 -24.62 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.536 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.73 -44.92 80.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 58.5 mt -64.44 -23.98 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.971 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.71 -39.54 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.979 0.419 . . . . 0.0 110.161 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.27 -36.69 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.156 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD12 HD23 ' A' ' 34' ' ' LEU . 98.4 mt -73.64 -17.48 61.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.3 2.92 60.28 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.85 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 24.5 m0 -77.69 -38.73 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 13' ' ' ILE . 40.8 mt -114.05 156.04 24.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -132.6 121.31 23.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.753 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.163 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -83.52 114.77 21.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -96.45 121.0 37.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.32 0.581 . . . . 0.0 110.373 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -104.13 138.97 39.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.118 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.28 140.99 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.018 0.437 . . . . 0.0 111.398 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.0 p -107.93 -174.19 2.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.344 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -63.49 -49.42 73.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.224 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.72 -29.85 75.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.798 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.2 m -73.13 -46.77 49.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.836 0.35 . . . . 0.0 110.302 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -68.22 -37.38 80.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.22 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 111.09 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.763 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.559 HG22 ' OD2' ' A' ' 6' ' ' ASP . 12.8 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.16 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.987 0.423 . . . . 0.0 111.307 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.539 ' H ' HG23 ' A' ' 3' ' ' THR . 18.8 t70 -64.06 -41.85 97.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.01 177.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.559 ' OD2' HG22 ' A' ' 3' ' ' THR . 44.8 m-20 -65.32 -34.38 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -60.48 -35.35 75.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.15 -34.2 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.966 0.413 . . . . 0.0 110.224 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.414 HD22 HD22 ' A' ' 34' ' ' LEU . 6.6 tt -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.75 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.3 tp -68.78 -29.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 35.7 ttm-85 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.562 ' HA ' ' OG ' ' A' ' 15' ' ' SER . 14.0 t70 -60.34 -34.36 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.098 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 40' ' ' LEU . 17.4 mm -58.49 -36.13 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.329 0.585 . . . . 0.0 110.074 176.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.0 m-70 -75.34 -40.52 58.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.562 ' OG ' ' HA ' ' A' ' 12' ' ' ASP . 94.7 p -68.84 -28.75 67.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.203 -175.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.4 p -82.7 6.2 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.952 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 3.13 16.2 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.282 175.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.79 -8.34 57.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.948 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HD2' ' O ' ' A' ' 19' ' ' ARG . 7.0 ppt_? -146.3 146.9 30.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -129.96 126.43 37.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 50' ' ' THR . 15.4 pt20 -108.83 114.34 28.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.302 0.573 . . . . 0.0 110.636 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.994 -177.847 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.717 0.294 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 86.4 tttt -49.83 -50.02 70.24 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 37.3 Cg_endo -66.9 -27.77 43.08 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.634 1.556 . . . . 0.0 112.625 177.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -70.01 -42.86 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.221 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.63 -25.17 64.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.905 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 14.5 t70 -66.42 -36.25 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.136 0.493 . . . . 0.0 109.734 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.7 mp -73.6 -24.11 60.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.323 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.84 -42.28 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 109.652 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.05 -37.59 83.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.47 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 34' ' ' LEU . 80.2 mt -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.269 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.16 21.11 55.98 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.824 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -92.27 -36.42 13.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.237 0.542 . . . . 0.0 109.902 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 13' ' ' ILE . 73.9 mt -114.93 148.09 39.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.465 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -127.58 132.35 49.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.922 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 175.763 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 14.6 m . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.603 0.24 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -91.4 117.76 29.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.203 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HB3' HD22 ' A' ' 40' ' ' LEU . 98.7 m-85 -104.88 120.71 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -101.54 148.53 25.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 pt -68.87 138.11 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -98.31 177.04 5.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.613 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 1.6 pm0 -70.34 -29.45 66.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.91 -44.23 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.58 70.6 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.947 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.519 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 77.8 m -69.85 -44.59 69.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.993 0.425 . . . . 0.0 110.4 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.5 t -67.17 -45.92 75.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.575 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.57 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.583 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.616 -177.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.424 HG22 ' OD2' ' A' ' 6' ' ' ASP . 14.6 t . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.36 -32.49 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -74.11 -25.9 60.04 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.215 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.424 ' OD2' HG22 ' A' ' 3' ' ' THR . 73.8 m-20 -72.86 -33.24 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -59.56 -37.18 77.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -65.46 -44.43 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.84 -45.18 93.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.804 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.55 -31.64 51.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.738 0.304 . . . . 0.0 110.94 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.53 -36.24 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.498 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.544 HG13 HD21 ' A' ' 40' ' ' LEU . 14.7 mm -58.09 -43.89 86.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.216 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -69.13 -41.01 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.007 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.3 m -63.15 -27.31 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.025 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 m -76.09 -18.74 59.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.832 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.57 -11.24 4.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.58 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 54' ' ' ILE . . . 120.72 -29.83 5.72 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -125.73 135.05 51.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 0.0 110.354 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -128.16 115.19 18.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.408 -175.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -90.81 129.33 36.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.075 0.464 . . . . 0.0 110.69 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.733 177.643 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 41.7 tt0 . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 120.706 0.288 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.34 -53.77 61.53 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.3 Cg_endo -58.28 -29.84 89.1 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.888 1.725 . . . . 0.0 112.639 176.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.1 m-85 -61.7 -43.8 98.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.13 0.49 . . . . 0.0 109.789 175.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.62 -31.18 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.375 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.11 -40.07 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.135 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.9 mt -65.61 -30.46 71.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.591 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -62.89 -42.12 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.215 0.531 . . . . 0.0 109.772 174.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.04 -33.55 76.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.21 -16.88 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.301 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.07 41.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 23.1 m0 -93.15 -35.9 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 13' ' ' ILE . 61.9 mt -121.13 156.54 32.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.431 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -139.87 121.71 15.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.051 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 65.9 mtm180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.147 0.499 . . . . 0.0 110.093 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -87.84 118.11 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.796 -176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 42' ' ' ARG . 96.3 m-85 -100.34 122.42 43.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -101.72 139.86 36.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.267 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 18' ' ' GLY . 22.3 pt -61.94 127.1 21.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.297 0.57 . . . . 0.0 111.008 176.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -102.8 174.25 5.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.175 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' THR . 33.8 tt0 -56.89 -51.27 69.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 111.639 -174.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -33.94 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.572 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.08 -31.91 72.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.478 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.7 m -70.4 -44.16 68.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.917 0.389 . . . . 0.0 110.478 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.7 t -67.44 -40.68 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.032 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.1 85.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.506 -178.429 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 5' ' ' ASP . 15.3 t . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 7' ' ' PHE . . . -57.11 -31.74 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.0 111.57 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 3' ' ' THR . 13.0 m-20 -66.17 -30.53 71.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.49 -35.61 70.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.145 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' HA ' HG22 ' A' ' 10' ' ' ILE . 67.8 m-85 -59.28 -39.51 83.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.517 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 85.8 mttt -60.07 -46.93 87.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.175 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.78 -44.89 80.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.845 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -67.24 -32.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.689 0.28 . . . . 0.0 111.139 -176.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 28.2 mtm180 -70.98 -31.57 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.93 -35.89 79.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.238 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.535 HG13 HD21 ' A' ' 40' ' ' LEU . 15.1 mm -57.5 -45.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.806 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.521 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 82.1 m-70 -67.6 -43.25 80.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.171 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 t -60.37 -37.29 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.84 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 m -69.27 -18.6 63.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.116 0.484 . . . . 0.0 111.0 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.67 -15.14 3.14 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.596 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.89 -3.24 10.82 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.783 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -146.66 151.87 37.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.419 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -137.29 120.98 17.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -99.53 123.16 43.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.098 0.475 . . . . 0.0 110.974 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.598 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 47.4 mmtt -63.38 -48.38 82.22 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 25.4 Cg_endo -64.32 -22.82 66.11 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.592 1.528 . . . . 0.0 112.215 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -80.57 -47.24 14.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 10.9 pt-20 -66.06 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.9 t70 -66.29 -39.48 89.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 0.0 109.926 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 37' ' ' LEU . 83.1 mt -68.88 -30.03 68.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.05 176.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 96.8 t -62.96 -39.33 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.406 0.622 . . . . 0.0 109.932 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.13 -39.87 86.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.537 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 HD23 ' A' ' 34' ' ' LEU . 96.8 mt -71.46 -25.31 62.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.484 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 100.58 12.52 37.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.359 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 28.1 m0 -87.09 -39.04 15.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.22 0.534 . . . . 0.0 109.651 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 48.5 mt -114.08 161.52 17.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.27 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 44.9 tttp -145.52 134.09 22.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.794 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 . . . . . 0 C--N 1.317 -0.804 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.504 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -94.98 117.0 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.4 m-85 -93.14 122.27 35.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.207 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -99.23 146.16 26.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.112 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.8 pt -66.58 126.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.31 0.576 . . . . 0.0 110.883 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.59 HG22 ' H ' ' A' ' 56' ' ' GLU . 1.3 m -102.09 177.44 4.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.849 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.59 ' H ' HG22 ' A' ' 55' ' ' THR . 14.2 mm-40 -54.84 -50.33 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.671 0.272 . . . . 0.0 111.295 -176.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 99.9 mtt180 -69.6 -27.42 65.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.97 -30.29 61.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.991 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.521 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 75.8 m -72.42 -45.11 61.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.766 0.317 . . . . 0.0 110.875 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 p -68.27 -32.95 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.068 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.708 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.62 -30.31 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.269 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.61 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.176 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.11 -43.66 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.505 ' HA ' HG22 ' A' ' 10' ' ' ILE . 84.7 m-85 -60.65 -41.02 94.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.4 -43.12 99.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 34' ' ' LEU . 6.5 tt -67.75 -44.5 77.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.567 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.0 tp -71.05 -33.02 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.291 -177.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 3.2 mtm180 -69.27 -33.38 73.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.37 -33.89 71.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.331 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.538 HG13 HD21 ' A' ' 40' ' ' LEU . 16.6 mm -60.83 -37.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.427 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 76.2 m-70 -72.9 -45.04 60.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.839 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -60.44 -32.66 71.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.845 -176.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -82.32 0.55 41.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.014 0.435 . . . . 0.0 111.401 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.93 -23.4 4.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.974 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.24 -13.93 7.88 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.906 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -133.87 145.66 49.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 24.6 tpt180 -132.99 121.43 22.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -100.33 111.1 23.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.335 0.588 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 28' ' ' GLN . 30.7 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.596 ' HG2' ' HG3' ' A' ' 32' ' ' GLU . 6.9 tt0 . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 111.278 0.103 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 27.4 ttpp -51.98 -53.04 56.02 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 23.7 Cg_endo -62.32 -31.52 81.67 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.801 1.668 . . . . 0.0 112.349 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.1 m-85 -70.44 -38.36 74.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 45.3 mt-10 -66.08 -29.36 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.577 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.04 -38.69 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.351 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD23 HD12 ' A' ' 37' ' ' LEU . 67.5 mt -66.75 -27.36 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 178.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 59.4 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.181 0.515 . . . . 0.0 110.173 174.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.38 -35.43 77.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.339 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 HD23 ' A' ' 34' ' ' LEU . 94.4 mt -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.706 175.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.05 12.9 62.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.255 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.409 ' CE3' HD22 ' A' ' 34' ' ' LEU . 41.4 m0 -85.73 -33.97 21.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.155 0.502 . . . . 0.0 110.195 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD21 HG13 ' A' ' 13' ' ' ILE . 39.6 mt -117.25 147.81 42.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.488 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -133.03 137.42 46.46 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.129 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.577 176.604 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 120.93 0.395 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -78.62 115.73 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.667 -178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.0 m-85 -101.42 137.9 39.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.841 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -123.63 143.62 50.12 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -60.92 144.69 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.975 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.28 -172.97 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.488 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.0 -52.25 64.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.23 -42.07 90.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.482 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.3 -35.25 91.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.266 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.433 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 30.9 m -73.88 -39.13 64.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.822 0.344 . . . . 0.0 110.401 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.402 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.9 69.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.48 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.411 HG22 ' OD2' ' A' ' 6' ' ' ASP . 10.4 t . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.99 -30.85 66.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.812 0.339 . . . . 0.0 111.282 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.521 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 42.8 m-20 -65.81 -27.83 68.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD2' HG22 ' A' ' 3' ' ' THR . 49.5 m-20 -72.6 -38.92 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.29 -36.45 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.856 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HD2' ' HA ' ' A' ' 5' ' ' ASP . 88.8 mttt -63.95 -47.59 79.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.377 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.17 -45.76 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.468 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.5 tp -70.73 -32.43 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -64.51 -37.64 88.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.451 0.644 . . . . 0.0 109.563 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.68 -30.71 70.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.901 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.474 HG12 ' HA ' ' A' ' 10' ' ' ILE . 29.1 mm -56.16 -39.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.684 173.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -73.17 -39.36 65.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -66.68 -22.97 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.167 0.508 . . . . 0.0 110.42 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -83.11 -3.52 57.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.672 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.57 1.93 15.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.76 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.17 -6.19 61.57 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.868 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -133.62 151.42 51.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.1 tpt180 -146.66 132.1 18.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.2 pt20 -115.36 129.59 56.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 110.631 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.938 -179.568 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.231 0.119 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 88.0 tttt -51.3 -56.11 23.15 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -175.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.8 Cg_endo -66.34 -27.6 47.55 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.785 1.657 . . . . 0.0 112.955 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.5 m-85 -70.26 -47.68 60.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -69.41 -23.66 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.324 0.583 . . . . 0.0 109.869 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.49 -42.86 86.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.361 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 55.9 mt -67.32 -24.27 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.842 178.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 57.9 t -64.37 -39.91 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.77 -39.9 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.165 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.11 -13.57 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.158 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.81 26.9 43.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.28 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.2 m0 -97.53 -33.21 11.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 13' ' ' ILE . 67.0 mt -121.06 153.25 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.922 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -138.15 136.46 36.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.107 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.649 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 18.2 m . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.733 0.302 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -92.04 116.07 28.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.16 143.83 29.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.554 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -122.62 143.12 49.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.859 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.9 pt -65.74 139.4 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 111.743 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -97.69 -177.0 3.64 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 2.0 pm0 -72.66 -38.18 67.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.467 175.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -69.2 -34.23 74.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.66 -31.96 79.78 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.038 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -72.97 -45.07 60.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 0.0 110.491 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -62.7 -39.11 92.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.69 81.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 178.408 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.717 0.294 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -78.68 154.51 30.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.408 HG22 ' OD2' ' A' ' 6' ' ' ASP . 11.2 t -97.99 173.84 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.137 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.15 -30.92 69.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.879 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.18 -30.31 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.378 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 72.3 m-20 -75.98 -34.78 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.185 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' HA ' HG22 ' A' ' 10' ' ' ILE . 55.9 m-85 -60.23 -38.48 83.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 174.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.554 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.32 -46.37 23.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.328 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.1 tp -67.91 -32.12 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -70.79 -31.68 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.78 -36.07 80.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.499 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 20' ' ' ARG . 12.0 mm -56.79 -39.78 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.961 178.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -73.34 -39.61 65.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.352 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -67.22 -17.53 64.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.102 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -95.69 6.22 49.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.525 0.679 . . . . 0.0 110.422 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.94 -16.84 18.04 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.236 175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 -30.85 4.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.306 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -106.9 149.66 27.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' HB2' HG23 ' A' ' 13' ' ' ILE . 5.8 tpt85 -143.16 111.7 6.32 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 50' ' ' THR . 16.8 pt20 -96.14 126.47 41.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.083 0.468 . . . . 0.0 110.886 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.46 131.59 72.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.94 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.558 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 86.9 m-85 -55.14 -57.79 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.579 0.549 . . . . 0.0 111.35 -176.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.43 -141.49 7.12 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.91 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 61.64 -163.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.693 0.29 . . . . 0.0 111.315 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.4 mtp-105 -63.74 -26.08 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.225 -177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.02 -34.15 75.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.995 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -80.59 -21.81 41.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.619 -175.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.7 mmmt -53.27 -53.68 53.41 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.561 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.0 Cg_endo -61.9 -25.39 78.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.712 1.608 . . . . 0.0 112.068 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -71.21 -48.5 51.04 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.604 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.6 pt-20 -72.51 -26.86 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.641 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.82 -37.7 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.873 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.0 mt -66.75 -29.54 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.282 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 88.9 t -63.58 -42.82 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 0.0 109.742 173.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.21 -37.4 87.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.39 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 34' ' ' LEU . 92.5 mt -75.42 -19.67 59.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.306 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.96 14.9 44.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.94 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -91.3 -33.76 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.202 0.525 . . . . 0.0 110.454 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 47.6 mt -119.24 162.11 19.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.859 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -139.79 121.61 15.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.533 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.453 ' NH2' ' HB3' ' A' ' 32' ' ' GLU . 2.4 ptp180 -91.98 101.78 14.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.084 0.468 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.5 m -90.68 -71.8 0.61 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -80.87 91.14 5.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.188 0.518 . . . . 0.0 109.806 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' HA ' HG23 ' A' ' 50' ' ' THR . 34.9 t -92.08 87.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.89 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.24 157.31 16.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.428 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.5 m -75.02 -7.49 53.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.132 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -84.06 -73.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -140.45 125.93 18.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.138 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 45' ' ' VAL . 28.7 m -75.13 126.97 32.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.106 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -88.82 117.06 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.637 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -102.17 137.56 40.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.039 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.14 144.23 49.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.852 0.358 . . . . 0.0 110.368 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.34 141.34 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.417 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.7 p -101.78 -169.58 1.7 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.489 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -75.28 -35.61 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.46 -43.25 97.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.682 173.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.46 -31.02 79.34 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.061 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -73.23 -41.63 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 110.495 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t -65.92 -35.15 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.91 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.43 -36.52 60.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.9 tp -71.67 -21.96 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.122 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -69.41 121.27 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.011 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.478 178.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.53 137.37 47.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.483 HG22 ' OD2' ' A' ' 6' ' ' ASP . 14.1 t -99.18 174.65 6.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.98 71.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 111.564 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.23 -38.72 90.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.779 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.483 ' OD2' HG22 ' A' ' 3' ' ' THR . 68.0 m-20 -66.32 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -63.53 -35.86 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.04 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -73.32 -36.05 66.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.331 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -45.61 84.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.559 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 tp -67.63 -28.93 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.596 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.26 -37.26 71.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.35 -34.32 70.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.785 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.552 HG13 HD21 ' A' ' 40' ' ' LEU . 17.0 mm -56.17 -41.85 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.304 0.574 . . . . 0.0 109.971 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.9 m-70 -69.15 -38.72 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.053 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.7 m -65.45 -22.51 66.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.18 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 20' ' ' ARG . 6.1 m -93.36 14.36 18.68 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.557 0.694 . . . . 0.0 110.535 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.47 8.88 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.658 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.55 -1.54 69.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.983 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.563 ' HD2' ' HB3' ' A' ' 51' ' ' HIS . 44.5 ttp180 -146.68 130.75 17.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HD2' HG21 ' A' ' 16' ' ' THR . 13.7 tpt180 -119.72 121.28 38.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.698 0.285 . . . . 0.0 110.723 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' THR . 24.9 pt20 -93.15 111.86 23.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 0.0 110.704 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -115.45 135.85 54.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.078 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -73.6 163.85 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.587 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.22 85.67 0.81 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.13 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.6 m -150.89 -174.04 4.67 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -58.27 -27.18 63.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 111.152 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -57.94 -31.91 67.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.531 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -80.36 -21.28 42.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.675 -172.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.7 mtmp? -54.05 -51.53 76.47 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -174.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 16.4 Cg_endo -58.93 -35.68 98.17 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.977 1.784 . . . . 0.0 112.281 176.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.65 -38.04 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.56 -27.05 65.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.135 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.65 -37.63 62.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.877 0.37 . . . . 0.0 110.396 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 65.7 mt -63.93 -27.28 69.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.333 177.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.32 -41.98 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.236 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.01 -32.63 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.607 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 HD23 ' A' ' 34' ' ' LEU . 92.0 mt -73.06 -23.4 60.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.574 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.11 31.85 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.251 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 37.0 m0 -94.84 -34.0 12.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.081 0.467 . . . . 0.0 110.212 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.552 HD21 HG13 ' A' ' 13' ' ' ILE . 45.0 mt -119.99 150.14 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.452 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -137.18 117.64 13.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.185 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.4 ptt180 -87.07 119.17 27.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.479 0.657 . . . . 0.0 111.91 -175.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 m -133.13 -179.91 5.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.746 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m 66.58 -76.81 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.274 0.63 . . . . 0.0 111.792 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.403 HG22 HG23 ' A' ' 50' ' ' THR . 53.6 t 62.47 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.356 0.663 . . . . 0.0 111.709 -178.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -106.5 98.66 8.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.733 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m 61.28 -93.44 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.375 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 5.5 mpt_? -109.85 -13.42 14.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.665 0.269 . . . . 0.0 110.838 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.86 114.22 26.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.117 0.484 . . . . 0.0 110.763 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 24.8 m -92.61 125.28 37.17 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.999 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.563 ' HB3' ' HD2' ' A' ' 19' ' ' ARG . 56.0 m-70 -90.88 115.42 27.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.674 0.274 . . . . 0.0 110.536 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.448 ' HB3' HD22 ' A' ' 40' ' ' LEU . 87.0 m-85 -95.1 118.44 31.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.397 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 11.3 tp60 -94.69 142.86 26.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.615 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.9 pt -68.86 135.09 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.716 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 p -95.13 179.78 5.08 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.04 -38.64 88.9 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.53 -44.56 93.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.921 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.28 -28.34 70.72 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.247 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.606 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.0 m -71.96 -44.49 63.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 0.0 110.232 176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 32.4 t -68.24 -41.93 80.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.664 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.733 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.79 -23.28 60.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.082 0.468 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.3 tp -88.49 -4.96 58.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.413 0.625 . . . . 0.0 109.933 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.566 ' HE ' ' HA ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -108.25 120.22 41.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.235 -178.389 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.666 -0.683 . . . . 0.0 109.98 178.475 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tmm? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -87.21 111.17 20.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.784 0.326 . . . . 0.0 111.654 -174.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 5' ' ' ASP . 15.0 t -104.74 -178.88 3.78 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 175.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.73 -36.24 46.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.581 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.5 ' H ' HG23 ' A' ' 3' ' ' THR . 1.8 m-20 -62.0 -37.32 84.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.047 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.486 ' OD1' HG22 ' A' ' 3' ' ' THR . 5.5 m-20 -70.03 -36.15 74.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' HA ' HG22 ' A' ' 10' ' ' ILE . 65.9 m-85 -61.08 -38.54 86.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.241 0.543 . . . . 0.0 110.495 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -70.94 -34.43 71.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.979 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD21 ' CE2' ' A' ' 31' ' ' PHE . 10.1 tt -73.81 -43.44 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.665 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -68.1 -26.61 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -68.07 -38.9 82.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -58.16 -37.13 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.632 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.535 HG13 HD21 ' A' ' 40' ' ' LEU . 12.4 mm -57.05 -39.48 66.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.177 0.513 . . . . 0.0 110.179 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 88.0 m-70 -73.84 -40.19 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.073 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 m -60.09 -35.36 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.967 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -77.85 -2.11 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.65 9.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.999 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.67 -16.86 60.29 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 19' ' ' ARG . 5.8 mpt_? -125.43 144.74 50.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -136.39 114.29 11.29 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -89.23 128.8 35.86 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 28' ' ' GLN . 48.1 t -124.96 131.28 72.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 82.4 m-85 -69.31 147.41 51.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.261 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.58 81.37 0.22 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.963 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 m -149.48 -169.52 3.4 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.776 0.431 . . . . 0.0 109.871 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HE ' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -57.69 -32.63 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.779 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.14 -25.64 68.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.587 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.521 ' HA ' HG11 ' A' ' 22' ' ' VAL . 35.5 tt0 -75.83 -21.29 57.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.348 -176.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -49.03 -54.05 32.33 Favored Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 31.1 Cg_endo -64.1 -33.58 61.05 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.728 1.619 . . . . 0.0 112.474 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 35' ' ' VAL . 88.3 m-85 -66.26 -42.17 88.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.95 -35.33 79.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.045 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.28 -40.48 77.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.568 HD23 HD12 ' A' ' 37' ' ' LEU . 77.6 mt -64.53 -26.82 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 178.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -61.74 -47.85 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.438 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.42 -37.0 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.49 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 HD23 ' A' ' 34' ' ' LEU . 95.0 mt -68.61 -19.19 64.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.517 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 91.64 14.47 56.77 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.549 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.449 ' CD1' ' HB3' ' A' ' 57' ' ' ARG . 34.7 m0 -90.25 -33.84 16.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.451 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.535 HD21 HG13 ' A' ' 13' ' ' ILE . 61.7 mt -118.58 154.73 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.128 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -134.15 138.1 44.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.162 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 17.7 mtp180 -86.33 101.48 13.13 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.9 m -91.34 -38.68 12.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.679 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -152.01 147.64 26.76 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 m -123.78 132.48 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.409 0.623 . . . . 0.0 111.826 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.518 ' HB2' ' HB3' ' A' ' 49' ' ' ALA . 73.9 m-20 -113.14 167.11 10.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 173.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 m -52.15 103.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.26 0.35 . . . . 0.0 111.291 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.532 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 23.6 mmt180 67.54 18.06 9.99 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.313 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -136.33 115.12 12.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.017 0.437 . . . . 0.0 110.846 178.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.1 m -103.96 127.33 51.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.817 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -86.2 115.24 23.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.35 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.22 128.12 50.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -114.9 146.65 40.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.445 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -62.53 138.15 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.676 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.4 p -105.5 -171.57 1.93 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.927 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.92 -46.56 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 18.9 mmm180 -62.7 -40.2 96.38 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.4 -36.61 93.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.182 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.522 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 86.6 m -71.06 -44.57 65.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.348 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -62.34 -39.13 92.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 111.098 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.46 -29.61 59.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.0 tp -81.82 -6.72 59.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.057 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -73.63 95.47 2.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.382 0.61 . . . . 0.0 110.74 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.249 1.069 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.19 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 121.102 0.477 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.99 133.9 33.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.844 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.8 t -102.88 -179.7 4.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.809 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.26 68.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 111.226 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.405 ' H ' HG23 ' A' ' 3' ' ' THR . 1.4 m-20 -64.02 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -70.92 -39.13 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -60.62 -38.63 85.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.306 0.574 . . . . 0.0 110.429 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -68.32 -34.82 76.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 34' ' ' LEU . 8.9 tt -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.445 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -67.15 -27.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.88 0.372 . . . . 0.0 110.551 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -69.72 -38.27 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.97 -38.21 72.67 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.623 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.617 HG13 HD21 ' A' ' 40' ' ' LEU . 13.8 mm -57.13 -39.76 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.533 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 96.3 m-70 -72.19 -43.34 64.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.089 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -63.54 -21.96 66.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.383 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.5 m -81.34 -7.03 59.51 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.27 0.557 . . . . 0.0 110.646 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.24 4.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.753 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.7 -21.05 45.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.095 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.3 146.07 44.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.106 177.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 tpt85 -127.0 123.65 37.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.649 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' THR . 17.8 pt20 -107.98 111.35 23.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.724 0.773 . . . . 0.0 110.786 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t -106.27 133.81 49.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.688 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -74.74 -46.49 36.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.232 0.539 . . . . 0.0 110.612 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.12 -116.25 0.7 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.257 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.9 p 50.26 -162.18 0.06 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.259 0.624 . . . . 0.0 110.848 -175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -78.47 -15.62 58.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.064 -0.398 . . . . 0.0 110.453 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.19 -36.88 85.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.559 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -72.33 -21.99 61.24 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -51.55 -55.75 26.73 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.48 -28.21 77.62 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 121.862 1.708 . . . . 0.0 112.844 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.8 m-85 -65.4 -40.79 93.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 0.0 110.367 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.65 -23.49 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.231 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.72 -40.97 69.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.402 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 9' ' ' LEU . 10.9 mp -69.45 -23.8 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.128 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 98.5 t -63.36 -42.97 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 109.889 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.52 -40.5 97.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.715 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -22.86 65.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.233 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 23.87 22.71 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.183 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -97.38 -35.21 10.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 109.697 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.617 HD21 HG13 ' A' ' 13' ' ' ILE . 64.7 mt -119.8 148.86 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -137.27 125.35 22.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.694 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -96.14 111.46 23.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.194 0.521 . . . . 0.0 110.845 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p -115.43 -59.53 1.99 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.036 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -88.66 123.87 33.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.76 112.98 23.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.075 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -127.56 126.63 42.49 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 2.5 p 39.01 76.15 0.06 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.055 0.847 . . . . 0.0 112.382 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 47' ' ' SER . 6.7 ptp180 62.29 -23.8 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.661 1.584 . . . . 0.0 113.974 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 47' ' ' SER . . . -75.73 114.79 14.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.274 0.559 . . . . 0.0 110.746 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 31.7 m -97.41 119.83 36.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.32 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -87.61 118.91 27.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.651 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 40' ' ' LEU . 97.3 m-85 -99.73 119.91 38.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.236 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -96.2 133.14 40.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.117 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.5 pt -61.46 132.82 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.441 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -93.21 -176.33 4.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.5 -41.59 98.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.66 -47.71 74.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.672 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.32 -31.54 77.57 Favored Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.728 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.599 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.3 m -73.04 -39.74 65.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.965 0.412 . . . . 0.0 110.315 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.624 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 46.0 t -71.24 -46.51 60.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.861 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . . . -58.07 -40.93 82.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.906 0.384 . . . . 0.0 111.833 -174.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.84 65.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.165 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.9 tp -95.91 -4.92 42.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HG3' ' O ' ' A' ' 60' ' ' SER . 98.0 mtt180 -82.38 74.25 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.045 0.45 . . . . 0.0 110.427 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.505 -0.76 . . . . 0.0 110.015 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 ttp . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.764 0.316 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.98 134.58 54.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.35 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.7 t -119.86 -179.82 4.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.245 -178.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -59.34 -30.1 68.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.706 0.289 . . . . 0.0 111.479 -177.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.447 ' H ' HG23 ' A' ' 3' ' ' THR . 13.9 t70 -59.54 -40.51 87.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -68.63 -35.21 76.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' ILE . 53.8 m-85 -62.36 -36.79 83.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.81 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 86.8 mttt -61.26 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.247 0.546 . . . . 0.0 109.816 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 34' ' ' LEU . 6.7 tt -66.31 -48.82 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.429 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.6 -29.2 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 ttt180 -64.99 -43.34 92.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.111 0.481 . . . . 0.0 109.778 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.76 -36.24 69.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.246 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.622 HG13 HD21 ' A' ' 40' ' ' LEU . 11.8 mm -60.41 -38.73 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.573 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.406 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.5 m-70 -74.48 -33.83 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.196 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -62.11 -30.47 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.652 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 p -87.99 11.05 16.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.671 0.272 . . . . 0.0 111.558 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.62 37.42 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.957 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.25 -1.8 26.73 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.703 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -135.05 134.97 40.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -137.77 119.67 15.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.44 -176.529 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -97.1 131.43 43.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.739 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 24' ' ' GLY . 44.4 t -127.16 131.24 70.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.98 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -80.66 -14.47 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 111.483 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.612 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 137.72 -142.97 13.91 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.358 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.6 m 70.92 -172.06 0.16 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.108 0.563 . . . . 0.0 111.07 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' CD ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -57.65 -36.08 71.38 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.763 -176.105 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 40.9 mp0 -61.76 -33.3 73.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.836 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 36.8 tt0 -75.48 -22.61 57.09 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.805 -174.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 78.3 mttt -59.21 -53.0 70.61 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 19.3 Cg_endo -60.99 -26.9 83.95 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.548 1.499 . . . . 0.0 112.261 176.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.0 m-85 -63.6 -44.97 92.44 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.925 0.393 . . . . 0.0 110.087 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.65 -32.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.144 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.53 -39.16 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.419 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 9' ' ' LEU . 56.0 mt -68.96 -23.74 64.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' PHE . 57.9 t -66.69 -39.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.77 -35.5 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.229 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD12 HD23 ' A' ' 34' ' ' LEU . 92.2 mt -75.24 -17.82 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.902 176.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.487 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 85.89 20.88 54.82 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.483 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 31.8 m0 -90.45 -36.05 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.622 HD21 HG13 ' A' ' 13' ' ' ILE . 38.8 mt -114.15 148.39 37.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -134.22 105.08 6.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.839 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -85.22 102.12 13.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.241 0.543 . . . . 0.0 110.156 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -112.26 5.82 18.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.245 -176.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.5 m -151.75 96.01 2.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 111.479 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.57 HG22 HG23 ' A' ' 50' ' ' THR . 42.5 t -93.62 94.51 4.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 171.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' C ' ' HG ' ' A' ' 47' ' ' SER . 10.2 t70 -91.65 106.11 18.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.752 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.405 ' HG ' ' C ' ' A' ' 46' ' ' ASP . 83.1 p 58.38 -76.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.482 1.113 . . . . 0.0 111.734 -174.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -132.15 -28.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.933 0.397 . . . . 0.0 110.403 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.46 114.84 11.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.344 0.592 . . . . 0.0 110.397 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.57 HG23 HG22 ' A' ' 45' ' ' VAL . 20.2 m -91.51 113.95 26.35 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.019 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -88.87 115.97 26.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HB3' HD22 ' A' ' 40' ' ' LEU . 96.8 m-85 -99.73 125.27 45.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.418 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -106.08 142.47 35.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.076 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.98 137.99 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.528 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.4 p -96.54 177.38 5.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.31 -38.83 88.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.236 0.541 . . . . 0.0 109.724 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 37.8 ttm180 -68.58 -42.43 78.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.212 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.0 -28.51 72.19 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.0 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.406 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 56.3 m -73.43 -44.81 57.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.807 0.337 . . . . 0.0 110.331 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 t -62.24 -39.68 93.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.39 88.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.83 -23.43 61.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.194 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.3 tp -74.84 -1.02 20.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.501 0.667 . . . . 0.0 110.25 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -98.22 1.46 47.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.048 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.133 178.867 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.786 0.326 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.468 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -96.71 150.37 20.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.146 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.7 t -102.67 179.39 4.3 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.817 -175.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.3 70.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 3' ' ' THR . 10.3 m-20 -60.09 -40.4 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.53 -41.63 84.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.217 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.47 -35.39 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.531 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.23 -40.24 52.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.59 -41.6 83.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.44 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 62' ' ' ALA . 10.7 tp -66.5 -28.58 43.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.135 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 3.6 tmt_? -68.96 -37.98 79.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.04 -35.85 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.099 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.556 HG13 HD21 ' A' ' 40' ' ' LEU . 19.0 mm -57.52 -41.27 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.155 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 79.5 m-70 -71.15 -38.14 72.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.082 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 m -62.12 -26.43 68.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -86.6 -0.23 55.77 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 0.0 110.844 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.5 16.21 11.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.532 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.55 0.68 90.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.266 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 19' ' ' ARG . 31.1 ttt180 -144.13 124.24 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -128.0 123.34 34.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.689 0.28 . . . . 0.0 110.391 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.51 130.82 49.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 0.0 110.878 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -127.01 138.55 54.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.311 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 85.5 m-85 -73.08 -54.86 7.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.1 0.476 . . . . 0.0 110.443 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.49 -130.3 2.13 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.894 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.9 m 59.2 -159.23 0.3 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.744 0.32 . . . . 0.0 110.607 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -73.34 -20.55 60.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.37 . . . . 0.0 110.88 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.01 -28.71 67.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.649 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -80.28 -22.41 41.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.682 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 38.7 ttpt -51.21 -53.63 46.8 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -175.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 27.0 Cg_endo -62.76 -28.1 75.97 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.796 1.664 . . . . 0.0 112.636 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.0 m-85 -71.5 -41.8 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.262 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.66 -34.33 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.749 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.96 -40.36 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD23 HD12 ' A' ' 37' ' ' LEU . 77.2 mt -66.8 -30.68 70.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' PHE . 73.3 t -65.23 -38.38 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.538 . . . . 0.0 109.905 174.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.61 -35.22 77.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 2' ' ' ALA . 95.6 mt -76.17 -20.81 57.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.415 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 92.12 15.97 52.17 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.637 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -89.68 -31.94 17.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.658 . . . . 0.0 109.644 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 13' ' ' ILE . 35.1 mt -118.3 155.8 29.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.461 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -146.99 132.68 18.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -85.13 101.63 12.61 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.419 0.628 . . . . 0.0 109.79 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.3 p -85.34 -13.59 49.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.91 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 51' ' ' HIS . 12.0 m -145.17 102.62 3.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.025 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.88 98.44 8.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.77 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -100.44 165.46 11.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.281 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.5 m -49.47 106.39 0.11 Allowed 'General case' 0 C--O 1.236 0.395 0 O-C-N 123.383 0.427 . . . . 0.0 110.958 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 67.57 -65.72 0.23 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.555 -174.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -59.87 113.65 2.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.499 0.666 . . . . 0.0 111.115 -177.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.0 m -106.78 125.36 50.91 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.412 -176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 66.2 m-70 -94.71 115.2 27.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.367 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HB3' HD22 ' A' ' 40' ' ' LEU . 86.2 m-85 -99.9 138.01 37.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.22 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -120.93 148.57 43.9 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 pt -64.56 133.28 30.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.506 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.0 p -97.74 -173.5 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.25 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -59.46 -50.45 73.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.464 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 83.2 mtt180 -65.77 -41.2 92.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.49 -30.21 76.12 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.487 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.58 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 89.9 m -73.34 -41.8 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.933 0.397 . . . . 0.0 110.173 175.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.4 t -64.16 -51.23 64.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.975 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.66 88.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.566 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . -73.55 -23.12 59.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.846 -175.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.1 tp -70.17 -22.77 62.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.44 . . . . 0.0 110.598 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 64' ' ' ARG . 20.3 mtm180 -91.47 1.09 57.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.992 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.021 176.421 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 121.052 0.453 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.83 146.44 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -119.94 179.89 4.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.786 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.74 -30.9 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.269 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -60.24 -37.5 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -70.12 -44.03 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' HA ' HG22 ' A' ' 10' ' ' ILE . 82.7 m-85 -60.71 -41.31 94.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.201 0.524 . . . . 0.0 110.596 176.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.43 -36.03 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.015 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.79 -44.57 27.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -68.34 -32.46 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.461 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -71.08 -30.37 66.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 109.82 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.313 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.26 -42.84 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.932 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.61 -40.54 76.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.978 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -61.56 -30.21 70.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.802 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -75.64 -15.11 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.594 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.25 -13.07 5.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.227 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.32 -1.35 26.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.545 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -145.91 131.78 19.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -130.76 119.89 22.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.441 -176.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -105.54 115.89 31.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.216 0.532 . . . . 0.0 110.632 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t -96.47 131.53 43.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.691 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 93.8 m-85 -85.49 20.26 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -172.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 25' ' ' SER . . . 89.59 118.85 1.79 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.289 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 23.2 t 173.17 177.93 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.738 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 1.8 mpt_? -70.1 -17.56 63.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.11 -26.74 68.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.777 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 9.2 tt0 -79.73 -21.0 45.09 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 61.6 tttm -52.84 -53.26 56.64 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 14.3 Cg_endo -58.48 -27.28 81.52 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.823 1.682 . . . . 0.0 112.519 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 40.3 m-85 -69.78 -48.67 58.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.689 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.31 -25.71 61.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.061 0.458 . . . . 0.0 110.131 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -40.74 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.325 172.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.9 mt -67.73 -27.74 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.662 177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.92 -41.48 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.013 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.13 -37.3 86.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.135 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 34' ' ' LEU . 93.3 mt -74.45 -17.42 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.927 176.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 89.54 15.52 58.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.522 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.4 m0 -88.53 -34.03 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.145 0.498 . . . . 0.0 110.584 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 40' ' ' LEU . 35.8 mt -118.66 158.03 26.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.002 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -131.84 143.95 50.54 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.241 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -82.89 105.52 13.96 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.515 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 4.9 t -83.98 -39.3 19.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.297 -172.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 p -161.03 117.43 2.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.121 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.683 HG12 HG23 ' A' ' 50' ' ' THR . 19.1 m -93.24 140.38 16.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.164 0.507 . . . . 0.0 111.158 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.723 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 7.9 t70 -128.18 163.25 25.1 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.614 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.6 m -54.62 -30.26 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.385 0.428 . . . . 0.0 111.518 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -121.79 -52.2 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.023 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.723 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . -99.84 114.48 27.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.008 0.433 . . . . 0.0 112.051 -174.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.683 HG23 HG12 ' A' ' 45' ' ' VAL . 89.7 m -92.83 118.45 31.12 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -88.97 115.43 26.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.733 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -100.78 135.88 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.4 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 41.2 tt0 -110.23 142.78 41.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.068 -178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -67.84 146.52 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.969 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -112.89 -173.88 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.287 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.62 -48.36 75.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 97.1 mtt180 -60.88 -39.56 89.68 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.684 176.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.57 -33.41 86.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.212 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -73.4 -45.95 51.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.055 0.455 . . . . 0.0 110.305 176.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 t -65.99 -30.86 71.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.052 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.17 51.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.66 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.65 75.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.576 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.67 -29.65 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.215 0.531 . . . . 0.0 110.077 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -94.17 78.0 4.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.649 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.594 178.463 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtt . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.001 0.429 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.94 164.28 20.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.283 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.7 t -99.15 171.75 7.81 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.93 -30.03 69.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.78 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.79 -37.79 88.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.708 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 71.5 m-20 -67.44 -41.99 83.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HA ' HG22 ' A' ' 10' ' ' ILE . 78.9 m-85 -62.18 -40.55 96.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.101 0.477 . . . . 0.0 110.552 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -61.62 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.416 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 30' ' ' PRO . 9.1 tt -68.12 -47.76 67.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.015 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.6 tp -65.44 -29.28 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 110.465 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -70.88 -35.65 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 31.7 t70 -60.14 -35.17 74.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.574 HG13 HD21 ' A' ' 40' ' ' LEU . 13.0 mm -59.5 -37.46 70.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.4 m-70 -74.32 -37.55 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -67.01 -26.69 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.503 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -88.89 6.18 40.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.731 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 -0.22 24.43 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.128 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.8 -14.23 60.4 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.901 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -131.24 131.16 43.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.3 tpt180 -131.31 121.9 25.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -97.22 127.14 42.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.075 0.464 . . . . 0.0 110.139 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -126.43 136.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.247 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.614 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 95.8 m-85 -86.17 142.96 28.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.639 ' HA2' ' OE1' ' A' ' 28' ' ' GLN . . . -50.21 109.47 0.68 Allowed Glycine 0 C--N 1.331 0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.606 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.2 p -166.36 -179.37 4.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -62.31 -28.14 69.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.493 0.663 . . . . 0.0 109.851 174.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.65 -26.13 63.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.81 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.639 ' OE1' ' HA2' ' A' ' 24' ' ' GLY . 55.4 tt0 -78.4 -20.82 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.494 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -49.43 -53.94 35.24 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.2 Cg_endo -60.34 -31.05 92.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.987 1.791 . . . . 0.0 112.622 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 9' ' ' LEU . 86.2 m-85 -66.8 -49.08 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.7 -33.47 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.586 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.5 -42.85 86.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.2 mt -66.35 -24.25 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 31' ' ' PHE . 94.2 t -62.71 -38.84 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.974 0.416 . . . . 0.0 110.338 175.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.52 -36.22 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 34' ' ' LEU . 95.6 mt -69.3 -17.53 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.684 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.81 16.71 57.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.171 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.8 m0 -89.37 -33.38 16.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.305 0.574 . . . . 0.0 109.946 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 13' ' ' ILE . 49.7 mt -118.71 150.45 39.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.768 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -129.87 125.95 36.82 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.34 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HD2' HG21 ' A' ' 50' ' ' THR . 36.5 mtm180 -84.03 102.7 12.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.9 p -83.09 -27.69 30.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.645 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.6 t -169.08 126.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.642 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.576 HG22 HG23 ' A' ' 50' ' ' THR . 22.7 t -101.39 88.68 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.197 0.522 . . . . 0.0 109.687 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -102.18 121.92 43.17 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.678 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t 62.02 -142.45 0.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.614 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 32.2 ttp-105 -86.42 1.12 52.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.889 0.376 . . . . 0.0 110.398 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . . . -102.32 115.9 31.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.351 0.596 . . . . 0.0 111.671 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.576 HG23 HG22 ' A' ' 45' ' ' VAL . 63.4 m -93.92 126.97 39.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.041 176.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -88.16 121.19 30.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.68 0.276 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 40' ' ' LEU . 93.5 m-85 -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.524 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -110.57 137.62 48.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.817 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 pt -64.93 135.02 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 p -101.41 -178.81 3.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -39.33 93.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -68.05 -42.78 79.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.242 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.19 -30.16 77.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.503 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 44.0 m -73.51 -44.93 56.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.026 0.441 . . . . 0.0 110.448 175.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -65.79 -40.9 92.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.13 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.26 89.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.72 -36.74 81.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.24 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -71.91 -65.69 0.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.826 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.251 1.142 0 O-C-N 123.656 0.597 . . . . 0.0 111.646 -176.305 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.3 128.14 34.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.792 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 t -112.95 179.54 3.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.155 174.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -55.06 -33.7 62.96 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.564 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 12.5 t70 -68.91 -32.17 71.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.896 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.77 -37.28 76.33 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.002 0.429 . . . . 0.0 110.049 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' HA ' HG22 ' A' ' 10' ' ' ILE . 62.7 m-85 -60.52 -36.79 79.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.11 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' A' ' 5' ' ' ASP . 76.3 mttt -59.18 -49.91 76.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.443 0.64 . . . . 0.0 109.622 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.59 -46.77 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.946 -174.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.53 -31.81 55.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.976 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -72.1 -35.31 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.197 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.9 -38.22 72.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.6 HG13 HD21 ' A' ' 40' ' ' LEU . 13.3 mm -55.39 -39.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.916 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -69.25 -48.82 60.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.245 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.8 t -63.18 -30.17 71.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.208 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.3 m -72.94 -18.44 61.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.024 0.44 . . . . 0.0 110.968 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.54 22.04 1.53 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.35 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.2 -32.02 6.83 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.338 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -129.37 141.13 51.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.025 0.44 . . . . 0.0 110.442 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.71 121.57 33.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.99 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.67 131.9 41.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.103 0.477 . . . . 0.0 110.537 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t -121.24 116.45 49.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.024 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -96.45 -1.6 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.851 0.357 . . . . 0.0 110.665 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 28' ' ' GLN . . . -100.76 171.42 22.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.67 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t -105.68 -53.04 2.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.855 0.327 . . . . 0.0 110.878 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -68.35 -28.38 67.08 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.164 0.507 . . . . 0.0 110.09 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.14 -32.16 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.693 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 17.8 tt0 -81.47 -22.23 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.779 -1.101 . . . . 0.0 112.094 -171.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 60.2 tttp -51.13 -51.94 63.28 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 19.2 Cg_endo -60.57 -30.44 90.62 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.942 1.762 . . . . 0.0 112.217 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.2 m-85 -68.36 -42.91 78.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.905 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.95 -32.75 74.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.713 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.1 -33.47 70.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.29 -26.76 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.641 176.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 31' ' ' PHE . 67.5 t -64.36 -37.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.214 0.531 . . . . 0.0 109.751 173.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.55 -35.25 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.519 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.94 -25.5 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.741 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.01 18.93 41.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.904 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -87.8 -34.26 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.265 0.555 . . . . 0.0 109.822 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.6 HD21 HG13 ' A' ' 13' ' ' ILE . 42.1 mt -116.75 149.4 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.029 177.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -136.35 134.73 38.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.092 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 42' ' ' ARG . 13.5 mtm-85 -74.25 104.97 5.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.319 178.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 p -79.39 -36.43 39.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -175.72 151.56 1.17 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.964 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 50' ' ' THR . 41.4 t -105.67 98.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 172.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -115.28 126.2 54.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.612 -175.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.661 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 32.4 p 46.02 62.09 2.4 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.56 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 47' ' ' SER . 19.3 ptt180 64.6 -12.84 0.11 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.15 1.38 . . . . 0.0 113.013 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 47' ' ' SER . . . -95.27 115.45 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 0.0 110.89 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 45' ' ' VAL . 23.8 m -83.67 121.83 27.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.837 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -88.28 117.67 27.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.361 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' HB3' HD22 ' A' ' 40' ' ' LEU . 97.1 m-85 -105.76 116.66 32.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 174.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -105.72 147.19 28.84 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.786 0.327 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -58.61 142.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.523 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 p -107.47 -176.41 3.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.806 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.41 -34.93 76.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.286 0.565 . . . . 0.0 110.071 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.87 -40.39 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.63 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.68 -31.04 78.65 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.032 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 58.3 m -72.74 -43.99 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.984 0.421 . . . . 0.0 110.38 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.7 t -65.15 -35.71 81.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.72 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.63 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.13 60.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.021 0.438 . . . . 0.0 110.969 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.04 -29.02 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.142 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -64.25 102.9 0.56 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.761 178.471 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.812 178.425 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.98 159.33 31.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.44 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t -109.0 -179.85 3.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.59 -31.99 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.867 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -30.6 68.44 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.601 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.7 -40.48 92.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -61.79 -37.84 85.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.404 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -70.76 -43.23 69.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.701 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.91 -44.24 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.677 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -69.23 -30.06 44.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -70.76 -35.48 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -37.3 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.818 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.477 HG13 HD21 ' A' ' 40' ' ' LEU . 17.7 mm -56.81 -41.18 75.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.093 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.717 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.5 m-70 -68.78 -42.93 76.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.6 m -65.79 -25.43 67.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 m -77.75 -12.11 59.94 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.219 0.533 . . . . 0.0 110.52 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.06 0.14 8.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.776 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.58 -11.89 53.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.637 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.21 137.34 48.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -132.16 114.87 15.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.79 0.328 . . . . 0.0 110.563 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -89.43 119.55 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.058 0.456 . . . . 0.0 110.019 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.0 t -123.97 135.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.948 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 94.2 m-85 -74.77 147.03 41.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.89 94.68 0.1 OUTLIER Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.018 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.3 p -161.43 -171.2 2.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.543 0.211 . . . . 0.0 110.543 -174.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HD2' ' N ' ' A' ' 27' ' ' GLU . 4.3 ppt_? -57.12 -25.27 58.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.308 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.553 ' N ' ' HD2' ' A' ' 26' ' ' ARG . 32.8 tt0 -75.6 -30.0 59.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.813 -178.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -80.13 -20.68 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.413 . . . . 0.0 110.59 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 14.5 tmtt? -50.61 -54.8 31.89 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.377 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.12 -22.63 54.14 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.724 1.616 . . . . 0.0 112.985 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -76.67 -40.12 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.525 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 2.0 pp20? -69.81 -25.59 63.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.247 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.79 -39.91 87.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.703 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 68.7 mt -65.36 -27.29 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.631 178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 48.5 t -63.66 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 174.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.25 -38.47 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.242 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -78.4 -12.55 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.634 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.81 19.41 57.97 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.456 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 26.2 m0 -91.01 -37.18 13.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 52.7 mt -121.78 157.5 30.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.606 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -146.39 118.88 8.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.441 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' HD2' HG21 ' A' ' 50' ' ' THR . 29.0 ptt180 -93.2 147.89 22.5 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.141 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -144.73 -61.38 0.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 110.971 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.7 m -92.43 150.85 20.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.844 0.354 . . . . 0.0 111.323 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 50' ' ' THR . 20.9 m -135.16 136.81 51.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.766 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.34 125.49 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.651 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 t 65.24 -80.04 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.779 0.674 . . . . 0.0 110.951 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 12.7 ttp180 -151.75 10.06 0.54 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.766 0.793 . . . . 0.0 108.98 176.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -106.47 117.9 35.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.833 -177.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.483 HG21 ' HD2' ' A' ' 42' ' ' ARG . 11.9 m -84.86 131.61 34.5 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.85 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -87.32 115.95 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.738 0.304 . . . . 0.0 110.642 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -98.09 125.55 43.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -102.29 138.84 38.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.1 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 pt -59.28 126.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 0.0 110.943 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -102.61 178.35 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 55' ' ' THR . 8.4 pt-20 -51.56 -52.29 48.44 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 84.9 mtt180 -71.39 -27.54 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.773 0.321 . . . . 0.0 110.445 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.35 -35.93 77.34 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.028 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.717 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 48.3 m -70.68 -38.12 73.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.994 0.426 . . . . 0.0 110.222 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.1 t -68.48 -39.01 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.921 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.98 74.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.578 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.63 59.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.272 0.558 . . . . 0.0 110.479 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 tp -94.76 -2.48 50.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.913 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -86.42 83.23 7.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.833 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.251 1.17 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.12 178.155 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.795 0.331 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.03 137.46 50.02 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 5' ' ' ASP . 13.3 t -99.13 178.63 4.86 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.367 -0.379 . . . . 0.0 109.999 -178.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.09 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.332 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.401 ' H ' HG23 ' A' ' 3' ' ' THR . 22.1 t70 -62.24 -38.73 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.946 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -69.97 -46.26 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -59.5 -38.06 79.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.233 0.54 . . . . 0.0 110.674 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -66.33 -41.62 89.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.54 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 30' ' ' PRO . 8.6 tt -68.84 -45.28 71.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.699 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.5 -29.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.539 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 11' ' ' ARG . 20.9 ttt180 -66.5 -39.21 88.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 109.699 175.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.14 -35.51 77.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.766 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.458 HG13 HD21 ' A' ' 40' ' ' LEU . 13.6 mm -58.29 -41.35 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 92.9 m-70 -68.2 -43.35 78.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.422 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -67.81 -19.69 65.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.23 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.423 HG21 ' HD2' ' A' ' 20' ' ' ARG . 36.5 m -80.66 -18.32 48.39 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.102 0.477 . . . . 0.0 110.535 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 8.18 4.47 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.789 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.68 5.99 68.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.584 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -146.73 142.5 27.86 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 16' ' ' THR . 18.5 tpt180 -141.95 129.24 21.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 50' ' ' THR . 27.1 pt20 -116.72 117.01 28.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.432 0.634 . . . . 0.0 111.076 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 24' ' ' GLY . 32.0 t -113.23 132.34 62.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.877 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 p90 -73.99 -19.94 60.49 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -177.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.562 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 156.04 -125.84 1.71 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.228 -0.986 . . . . 0.0 112.883 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m 61.92 -177.76 0.13 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.796 0.438 . . . . 0.0 110.511 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -78.43 -17.89 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.43 0.634 . . . . 0.0 109.396 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.64 -24.35 60.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.197 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 29.5 tt0 -76.15 -21.16 56.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.626 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tmtt? -57.33 -53.34 66.42 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-O 119.538 -0.267 . . . . 0.0 111.603 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.488 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.5 Cg_endo -57.42 -27.55 76.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.75 1.633 . . . . 0.0 112.144 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.4 m-85 -67.78 -50.43 57.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 9.8 pt-20 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 110.206 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.9 -45.0 87.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.723 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 30' ' ' PRO . 8.5 mp -66.85 -25.15 66.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.077 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 94.5 t -61.48 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.112 173.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.98 -38.31 90.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.26 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.58 -25.29 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.66 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.84 47.55 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.212 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -89.99 -34.3 16.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.096 0.474 . . . . 0.0 110.823 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 58.4 mt -118.87 156.96 28.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.608 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -140.15 114.7 9.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.097 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' HIS . 27.0 ptt180 -74.44 112.41 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 t -95.3 -43.59 7.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.594 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 p -160.63 159.54 30.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.956 0.408 . . . . 0.0 111.314 -176.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 50' ' ' THR . 30.2 m -125.25 147.85 29.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.433 177.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -130.09 119.57 23.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m 71.63 -56.03 0.65 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.026 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 49' ' ' ALA . 35.0 ptt180 -176.12 -16.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.674 175.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -60.04 114.88 3.07 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 176.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.744 ' HA ' HG12 ' A' ' 45' ' ' VAL . 14.4 m -93.78 123.04 36.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.498 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 27.3 m-70 -89.26 115.09 26.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' HB3' HD22 ' A' ' 40' ' ' LEU . 96.0 m-85 -104.69 119.16 38.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.809 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.56 149.07 25.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 pt -69.19 140.78 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.179 0.514 . . . . 0.0 111.858 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.1 p -108.92 -173.82 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.116 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.93 -47.57 85.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.6 -39.85 95.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.74 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.01 -29.84 75.15 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.092 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.473 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 31.3 m -73.86 -44.01 56.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 p -68.1 -33.62 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.371 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.43 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.839 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.73 71.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.54 -176.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.95 -24.05 62.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.224 0.535 . . . . 0.0 110.324 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -66.56 -30.71 71.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.92 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.061 -176.742 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.952 0.406 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -81.8 146.74 29.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.758 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -102.85 177.53 4.82 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -60.13 -31.05 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.009 -177.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -32.81 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.247 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 68.0 m-20 -74.98 -36.72 62.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.97 0.414 . . . . 0.0 109.98 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' HA ' HG22 ' A' ' 10' ' ' ILE . 68.4 m-85 -59.72 -35.79 75.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.592 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 29.3 mtpp -62.84 -40.01 96.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.717 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.02 -43.91 66.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.35 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.4 tp -69.0 -30.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.73 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -63.83 -38.14 90.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.067 0.461 . . . . 0.0 109.866 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.63 -38.65 81.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.823 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.542 HG13 HD21 ' A' ' 40' ' ' LEU . 14.4 mm -57.95 -36.11 54.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 83.6 m-70 -73.39 -45.65 53.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.932 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -62.4 -33.94 75.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.074 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.457 HG21 ' HB2' ' A' ' 20' ' ' ARG . 13.8 t -81.27 12.25 3.69 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.872 0.368 . . . . 0.0 111.66 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.11 14.1 19.65 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.213 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.14 -7.01 83.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.793 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -146.55 133.98 20.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.892 0.377 . . . . 0.0 110.536 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HB2' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -128.95 129.06 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.658 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.8 134.86 44.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 0.0 110.329 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 28' ' ' GLN . 39.0 t -127.95 140.13 50.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.935 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -81.38 166.88 20.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.824 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' H ' ' HG2' ' A' ' 48' ' ' ARG . . . -74.61 82.21 0.83 Allowed Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.723 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -150.59 -171.41 3.91 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.1 ttp180 -64.28 -29.12 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.662 0.268 . . . . 0.0 110.73 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.73 -26.61 46.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.929 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' HA ' HG11 ' A' ' 22' ' ' VAL . 33.6 tt0 -78.8 -21.61 47.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.314 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 15.4 tppt? -61.78 -51.17 77.93 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -175.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 18.1 Cg_endo -59.54 -21.96 64.38 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.948 1.765 . . . . 0.0 112.28 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.6 m-85 -78.04 -38.69 44.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.249 176.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.32 -31.06 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.015 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.42 -38.92 75.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.172 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 66.3 mt -76.66 -28.58 56.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.919 177.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 31' ' ' PHE . 93.1 t -65.98 -40.55 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.971 0.415 . . . . 0.0 110.288 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.66 -34.15 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.396 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.97 -18.18 47.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.854 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.99 15.91 52.7 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.696 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 40.2 m0 -86.04 -32.95 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.249 0.547 . . . . 0.0 110.491 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.542 HD21 HG13 ' A' ' 13' ' ' ILE . 52.6 mt -119.12 161.29 20.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.448 177.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -137.4 120.0 16.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.285 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 10.7 ptm180 -102.48 105.05 15.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.052 175.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.4 m -116.83 -57.15 2.2 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.61 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.8 m -95.66 119.34 33.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.356 0.598 . . . . 0.0 111.558 -175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 50' ' ' THR . 33.4 m -115.75 152.43 17.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.317 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.93 99.43 6.13 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t 67.0 -75.2 0.06 Allowed 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.825 0.703 . . . . 0.0 110.402 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HG2' ' H ' ' A' ' 24' ' ' GLY . 41.3 ttp180 -137.01 -25.21 1.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.759 0.314 . . . . 0.0 110.348 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.3 115.45 5.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.071 0.462 . . . . 0.0 110.119 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.618 HG23 HG12 ' A' ' 45' ' ' VAL . 31.4 m -101.77 127.65 48.46 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.616 -176.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -91.12 117.48 29.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.823 -177.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 42' ' ' ARG . 96.0 m-85 -104.15 123.8 47.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.074 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -112.32 150.5 30.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.305 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.3 pt -65.42 134.46 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -103.45 -174.24 2.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.546 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.498 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 1.8 mp0 -60.02 -50.23 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.24 -40.63 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.503 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.62 -34.29 89.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.21 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.578 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.38 -44.62 58.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.02 0.438 . . . . 0.0 110.337 175.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -61.24 -37.29 82.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.881 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.65 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.51 73.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 0.0 110.73 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.8 tp -76.84 -23.31 52.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.637 175.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 60.7 103.15 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.92 -1.036 . . . . 0.0 112.348 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.313 174.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.1 tpp . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -83.14 148.61 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.604 -175.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.559 HG22 ' OD2' ' A' ' 6' ' ' ASP . 13.8 t -106.52 -178.85 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' A' ' 7' ' ' PHE . . . -59.28 -31.2 68.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.539 ' H ' HG23 ' A' ' 3' ' ' THR . 3.8 m-20 -69.59 -32.37 71.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.909 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.592 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 22.5 m-20 -71.26 -33.26 69.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' ILE . 49.3 m-85 -61.02 -35.1 75.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.339 172.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -66.78 -40.2 88.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.623 174.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD22 HD22 ' A' ' 34' ' ' LEU . 7.4 tt -64.49 -48.22 76.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.447 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG23 ' HB2' ' A' ' 62' ' ' ALA . 9.2 tp -67.94 -31.36 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.789 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 41.9 ttm180 -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 9.5 t70 -56.08 -38.35 70.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.555 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.631 HG13 HD21 ' A' ' 40' ' ' LEU . 10.2 mm -58.02 -39.91 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.291 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.692 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.2 m-70 -72.23 -41.92 66.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -60.66 -31.04 70.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -83.76 4.12 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.393 0.616 . . . . 0.0 111.111 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.57 23.1 7.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.213 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.99 1.76 86.59 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.284 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -147.0 143.78 28.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 4.6 tpp180 -135.58 120.44 18.54 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -100.54 111.95 24.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.299 0.571 . . . . 0.0 110.214 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -109.37 136.97 43.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.642 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -107.21 146.49 31.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.779 0.324 . . . . 0.0 110.492 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.61 -130.79 10.34 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.12 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.2 m -156.89 -37.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.798 0.332 . . . . 0.0 110.424 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -62.24 -44.15 97.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.877 0.37 . . . . 0.0 111.173 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -75.19 -25.72 58.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.369 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 84.6 mt-30 -77.03 -22.91 52.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.503 -177.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 87.7 tttt -48.52 -53.37 36.09 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -173.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 28.6 Cg_endo -63.3 -36.89 53.76 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.741 1.628 . . . . 0.0 112.216 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.4 m-85 -63.56 -37.15 86.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 28' ' ' GLN . 41.2 mt-10 -61.83 -30.41 70.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.206 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.44 -35.91 63.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.41 . . . . 0.0 110.535 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.463 HD22 HD22 ' A' ' 9' ' ' LEU . 11.3 mp -68.76 -24.13 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.389 176.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' PHE . 86.1 t -63.47 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.902 173.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.41 -19.47 65.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.188 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.46 21.04 49.88 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.069 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -91.21 -37.04 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.349 0.595 . . . . 0.0 109.48 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.631 HD21 HG13 ' A' ' 13' ' ' ILE . 41.4 mt -115.73 160.73 19.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.816 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 34.1 ttpt -138.19 131.35 30.18 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.726 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -86.56 112.78 21.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.12 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 49.1 m -149.84 163.15 38.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.09 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 51' ' ' HIS . 20.1 m 52.74 72.03 0.44 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.139 0.495 . . . . 0.0 111.211 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.637 HG12 HG23 ' A' ' 50' ' ' THR . 34.0 m -100.33 138.51 24.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.034 0.445 . . . . 0.0 110.998 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -130.56 98.46 4.67 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.4 p 48.79 -92.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.086 0.954 . . . . 0.0 112.152 -172.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 48' ' ' ARG . 14.6 mmt180 -96.72 -18.36 19.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.09 141.95 31.63 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.862 0.363 . . . . 0.0 110.564 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.637 HG23 HG12 ' A' ' 45' ' ' VAL . 60.6 m -142.29 124.69 15.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.827 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 43' ' ' SER . 11.2 m170 -81.43 117.61 22.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.27 175.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 40' ' ' LEU . 92.7 m-85 -97.34 115.86 28.47 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -100.56 143.76 30.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.388 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.04 134.93 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.204 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.4 p -95.74 179.73 5.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.716 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.55 -46.02 90.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 174.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -65.64 -41.15 92.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.419 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.69 73.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.295 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.692 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.5 -44.92 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.941 0.401 . . . . 0.0 110.176 175.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.88 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.66 ' O ' ' HG2' ' A' ' 64' ' ' ARG . . . -66.4 -47.63 72.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.038 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 10' ' ' ILE . . . -75.84 -25.73 56.51 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.3 tp -80.72 -0.21 37.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.085 0.469 . . . . 0.0 111.347 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 8.1 ptm180 -71.75 175.03 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.337 0.589 . . . . 0.0 111.555 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.248 1.004 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 170.064 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.5 mtp . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.781 0.324 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.74 154.68 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.2 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 6' ' ' ASP . 15.4 t -100.97 170.48 8.26 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.6 -32.51 67.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.818 0.342 . . . . 0.0 111.319 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.666 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 19.6 t70 -59.22 -40.87 87.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.547 ' HB3' HD21 ' A' ' 34' ' ' LEU . 66.5 m-20 -67.98 -37.92 82.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 53.5 m-85 -60.28 -41.99 94.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.73 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 5' ' ' ASP . 48.1 mtmt -63.86 -41.83 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.308 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 10.2 tt -69.12 -42.27 76.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.065 -176.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.36 -32.69 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.712 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 73.2 mtp180 -71.96 -29.26 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.984 0.421 . . . . 0.0 110.222 175.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 16.1 t70 -60.63 -37.38 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.913 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.549 HG13 HD21 ' A' ' 40' ' ' LEU . 10.5 mm -59.28 -42.34 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.226 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -68.82 -42.53 77.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.214 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 m -60.74 -36.27 78.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -81.88 4.24 23.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.81 -13.55 7.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.061 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.64 14.24 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.142 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -131.67 149.05 52.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.2 tpm_? -140.43 119.76 13.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.203 -176.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -99.17 135.27 40.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.838 0.351 . . . . 0.0 110.158 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 24.1 t -123.44 140.05 48.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 64.4 m-85 -98.09 -33.19 11.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.783 0.325 . . . . 0.0 111.532 -172.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.664 ' O ' ' HG3' ' A' ' 28' ' ' GLN . . . -108.13 132.34 11.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.79 -172.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 m -58.73 -30.28 67.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 26' ' ' ARG . 5.3 mpt_? -64.99 -42.5 94.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.897 0.38 . . . . 0.0 110.328 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.22 -27.23 60.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.268 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.664 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 94.6 mt-30 -73.05 -21.42 60.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.868 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 29' ' ' LYS . 51.9 mtpt -44.39 -59.65 3.67 Favored Pre-proline 0 N--CA 1.469 0.481 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 36.7 Cg_endo -65.39 -28.57 54.47 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.755 1.636 . . . . 0.0 112.254 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m-85 -71.56 -48.08 50.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.635 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 9.9 pt-20 -72.37 -23.96 61.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.916 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.17 -44.98 96.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.24 0.543 . . . . 0.0 109.611 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 6' ' ' ASP . 58.7 mt -68.17 -27.71 66.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.93 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' PHE . 78.9 t -63.2 -43.63 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.37 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.58 -33.87 74.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.518 HD12 HD23 ' A' ' 34' ' ' LEU . 89.3 mt -72.05 -24.32 61.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.636 175.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.56 9.52 46.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.931 176.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -85.13 -35.25 21.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.0 110.247 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD21 HG13 ' A' ' 13' ' ' ILE . 48.3 mt -115.02 157.63 23.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.676 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 85.9 tttt -133.63 134.3 43.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.668 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -88.99 102.94 15.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -85.71 -67.01 0.84 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.073 0.463 . . . . 0.0 110.675 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 m -125.4 122.4 36.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.105 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.487 HG22 HG23 ' A' ' 50' ' ' THR . 38.2 t -104.98 102.05 13.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 172.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -108.06 101.07 10.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.186 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 21.4 t 54.73 71.4 0.53 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.863 0.727 . . . . 0.0 110.327 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 47' ' ' SER . 24.8 ptt85 64.33 -31.31 0.12 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.66 1.584 . . . . 0.0 113.146 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -67.24 115.01 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.221 0.534 . . . . 0.0 110.184 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.487 HG23 HG22 ' A' ' 45' ' ' VAL . 90.5 m -105.48 122.59 46.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.716 -175.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -88.48 115.35 25.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 94.2 m-85 -97.08 138.36 34.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -121.03 141.86 50.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.7 pt -65.78 131.62 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 111.24 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -96.31 -178.7 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.85 -42.68 84.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.35 -46.45 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.308 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.82 -29.0 71.07 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.383 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.428 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 23.9 m -73.99 -48.2 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.917 0.389 . . . . 0.0 110.073 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 32.4 t -61.19 -37.38 82.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.55 91.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.5 -29.16 59.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.092 0.473 . . . . 0.0 110.55 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.0 tp -79.35 -0.65 33.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.625 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 60' ' ' SER . 4.0 mmp_? -71.79 -16.06 62.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.989 0.423 . . . . 0.0 110.251 176.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.246 0.92 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.336 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' A' ' 6' ' ' ASP . . . -66.67 144.41 56.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 175.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.578 HG22 ' OD2' ' A' ' 6' ' ' ASP . 7.2 t -99.7 -179.04 4.06 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.54 70.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.665 0.269 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' H ' HG23 ' A' ' 3' ' ' THR . 36.4 t70 -71.05 -28.35 64.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.578 ' OD2' HG22 ' A' ' 3' ' ' THR . 8.1 m-20 -66.43 -42.98 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' HA ' HG22 ' A' ' 10' ' ' ILE . 70.6 m-85 -61.7 -42.05 98.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.96 173.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 26.3 tttm -57.56 -41.86 81.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.632 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 34' ' ' LEU . 7.9 tt -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.945 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 7' ' ' PHE . 11.2 tp -68.65 -31.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.901 -177.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 65' ' ' SER . 20.0 mtm180 -68.62 -37.44 79.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.07 -37.49 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.457 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.523 HG13 HD21 ' A' ' 40' ' ' LEU . 14.7 mm -58.38 -45.22 89.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.348 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -68.68 -37.73 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -68.45 -14.89 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.475 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -90.25 -1.33 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.462 0.648 . . . . 0.0 109.941 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.16 -5.69 23.54 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.04 -15.71 13.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.953 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -132.71 139.51 47.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' ' HE2' ' A' ' 31' ' ' PHE . 25.4 tpt180 -128.3 132.09 48.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.37 120.7 41.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.418 0.628 . . . . 0.0 111.095 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 24' ' ' GLY . 34.0 t -124.32 131.08 73.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.171 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.617 ' HB2' ' HG3' ' A' ' 48' ' ' ARG . 26.5 p90 -98.74 20.74 12.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 123.83 -147.04 16.55 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.046 172.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.1 p 58.99 -171.81 0.11 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.481 1.112 . . . . 0.0 111.754 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -61.79 -22.55 65.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.811 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.0 -31.5 72.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.508 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -80.02 -21.89 43.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.538 0.209 . . . . 0.0 111.446 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.3 mmmt -54.78 -51.79 75.99 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 31.0 Cg_endo -66.64 -23.9 48.73 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 121.64 1.56 . . . . 0.0 112.458 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' HE2' ' HG2' ' A' ' 20' ' ' ARG . 44.2 m-85 -75.07 -47.61 27.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.08 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.78 -24.62 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.536 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.73 -44.92 80.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 58.5 mt -64.44 -23.98 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.971 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.71 -39.54 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.979 0.419 . . . . 0.0 110.161 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.27 -36.69 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.156 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD12 HD23 ' A' ' 34' ' ' LEU . 98.4 mt -73.64 -17.48 61.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.3 2.92 60.28 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.85 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 24.5 m0 -77.69 -38.73 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 13' ' ' ILE . 40.8 mt -114.05 156.04 24.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -132.6 121.31 23.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.753 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -75.85 107.56 8.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.6 t -91.43 -41.56 10.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.299 -171.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.4 p -158.98 147.13 17.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.999 0.428 . . . . 0.0 111.516 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.31 98.08 6.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -92.22 109.82 21.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.903 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.8 m 64.65 -81.96 0.03 OUTLIER 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.812 0.695 . . . . 0.0 109.37 -169.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.617 ' HG3' ' HB2' ' A' ' 23' ' ' PHE . 11.1 ptm180 -141.26 0.94 1.56 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 169.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -81.35 114.68 20.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.536 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 m -83.07 116.46 22.31 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.811 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -83.52 114.77 21.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -96.45 121.0 37.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.32 0.581 . . . . 0.0 110.373 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -104.13 138.97 39.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.118 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.28 140.99 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.018 0.437 . . . . 0.0 111.398 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.0 p -107.93 -174.19 2.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.344 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -63.49 -49.42 73.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.224 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.72 -29.85 75.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.798 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.2 m -73.13 -46.77 49.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.836 0.35 . . . . 0.0 110.302 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -68.22 -37.38 80.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.22 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 111.09 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 11' ' ' ARG . . . -71.33 -24.79 62.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.763 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.8 tp -77.63 -25.57 49.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.286 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -72.34 -56.38 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.557 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.542 ' O ' ' HD3' ' A' ' 11' ' ' ARG . 37.6 m . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.583 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -76.08 118.2 18.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -172.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.559 HG22 ' OD2' ' A' ' 6' ' ' ASP . 12.8 t -102.7 -179.93 4.11 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.16 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.987 0.423 . . . . 0.0 111.307 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.539 ' H ' HG23 ' A' ' 3' ' ' THR . 18.8 t70 -64.06 -41.85 97.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.01 177.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.559 ' OD2' HG22 ' A' ' 3' ' ' THR . 44.8 m-20 -65.32 -34.38 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -60.48 -35.35 75.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.15 -34.2 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.966 0.413 . . . . 0.0 110.224 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD22 HD22 ' A' ' 34' ' ' LEU . 6.6 tt -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.75 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.3 tp -68.78 -29.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 35.7 ttm-85 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.562 ' HA ' ' OG ' ' A' ' 15' ' ' SER . 14.0 t70 -60.34 -34.36 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.098 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 40' ' ' LEU . 17.4 mm -58.49 -36.13 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.329 0.585 . . . . 0.0 110.074 176.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.0 m-70 -75.34 -40.52 58.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.562 ' OG ' ' HA ' ' A' ' 12' ' ' ASP . 94.7 p -68.84 -28.75 67.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.203 -175.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.4 p -82.7 6.2 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.952 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 3.13 16.2 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.282 175.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.79 -8.34 57.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.948 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.489 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 7.0 ppt_? -146.3 146.9 30.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -129.96 126.43 37.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 50' ' ' THR . 15.4 pt20 -108.83 114.34 28.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.302 0.573 . . . . 0.0 110.636 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.1 t -114.61 135.76 53.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.994 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.481 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 9.6 p90 -63.57 -52.03 62.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.788 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' HB2' ' A' ' 28' ' ' GLN . . . 155.19 -150.73 22.3 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.094 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t 65.35 -157.35 0.28 Allowed 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.786 0.434 . . . . 0.0 110.373 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -63.86 -22.9 67.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.52 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.74 -40.69 95.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.725 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.435 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 35.8 tt0 -81.45 -21.3 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.442 -177.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 86.4 tttt -49.83 -50.02 70.24 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 37.3 Cg_endo -66.9 -27.77 43.08 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.634 1.556 . . . . 0.0 112.625 177.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -70.01 -42.86 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.221 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.63 -25.17 64.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.905 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 14.5 t70 -66.42 -36.25 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.136 0.493 . . . . 0.0 109.734 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.7 mp -73.6 -24.11 60.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.323 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.84 -42.28 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 109.652 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.05 -37.59 83.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.47 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 2' ' ' ALA . 80.2 mt -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.269 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.16 21.11 55.98 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.824 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -92.27 -36.42 13.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.237 0.542 . . . . 0.0 109.902 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 13' ' ' ILE . 73.9 mt -114.93 148.09 39.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.465 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -127.58 132.35 49.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.922 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -78.69 151.18 32.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -157.56 -58.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.555 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.1 p -136.06 150.93 49.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 0.0 111.461 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 50' ' ' THR . 31.4 m -132.91 135.71 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.211 175.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -130.56 111.06 11.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.331 0.586 . . . . 0.0 109.851 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 48' ' ' ARG . 17.2 t 52.79 68.22 0.87 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.735 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 47' ' ' SER . 26.9 tpt180 75.78 -37.76 0.33 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.017 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -64.75 115.68 5.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.47 . . . . 0.0 111.53 -177.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.728 ' HA ' HG12 ' A' ' 45' ' ' VAL . 14.6 m -94.2 128.83 40.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.497 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -91.4 117.76 29.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.203 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HB3' HD22 ' A' ' 40' ' ' LEU . 98.7 m-85 -104.88 120.71 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -101.54 148.53 25.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 pt -68.87 138.11 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -98.31 177.04 5.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.613 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.6 pm0 -70.34 -29.45 66.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.91 -44.23 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.58 70.6 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.947 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.519 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 77.8 m -69.85 -44.59 69.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.993 0.425 . . . . 0.0 110.4 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 22.5 t -67.17 -45.92 75.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.575 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.57 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.583 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . -65.89 -26.98 67.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.616 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.5 tp -84.33 -22.65 30.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.525 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 60' ' ' SER . 24.8 mmm180 -62.04 -40.59 96.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.277 -179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.254 1.293 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.317 -179.604 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -78.24 154.82 30.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.263 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.424 HG22 ' OD2' ' A' ' 6' ' ' ASP . 14.6 t -99.3 174.81 6.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.966 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.36 -32.49 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -74.11 -25.9 60.04 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.215 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.606 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 73.8 m-20 -72.86 -33.24 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -59.56 -37.18 77.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -65.46 -44.43 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.84 -45.18 93.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.804 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.55 -31.64 51.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.738 0.304 . . . . 0.0 110.94 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.53 -36.24 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.498 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.544 HG13 HD21 ' A' ' 40' ' ' LEU . 14.7 mm -58.09 -43.89 86.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.216 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -69.13 -41.01 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.007 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.3 m -63.15 -27.31 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.025 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 m -76.09 -18.74 59.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.832 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.57 -11.24 4.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.58 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 54' ' ' ILE . . . 120.72 -29.83 5.72 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -125.73 135.05 51.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 0.0 110.354 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -128.16 115.19 18.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.408 -175.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -90.81 129.33 36.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.075 0.464 . . . . 0.0 110.69 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 t -119.75 124.64 73.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.733 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 98.7 m-85 -68.48 -57.52 5.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.701 -175.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.42 94.21 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.537 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 m -150.36 175.38 11.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -62.51 -29.58 70.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.129 0.49 . . . . 0.0 109.958 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 17.4 mp0 -59.23 -24.79 63.46 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.483 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 41.7 tt0 -69.89 -22.36 63.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.706 0.288 . . . . 0.0 111.041 -177.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.34 -53.77 61.53 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.3 Cg_endo -58.28 -29.84 89.1 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.888 1.725 . . . . 0.0 112.639 176.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.1 m-85 -61.7 -43.8 98.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.13 0.49 . . . . 0.0 109.789 175.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.62 -31.18 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.375 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.11 -40.07 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.135 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.9 mt -65.61 -30.46 71.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.591 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -62.89 -42.12 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.215 0.531 . . . . 0.0 109.772 174.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.04 -33.55 76.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.21 -16.88 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.301 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.07 41.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 23.1 m0 -93.15 -35.9 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 13' ' ' ILE . 61.9 mt -121.13 156.54 32.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.431 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -139.87 121.71 15.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.051 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 65.9 mtm180 -78.62 103.25 8.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.147 0.499 . . . . 0.0 110.093 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 3.3 p -128.17 140.45 51.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.056 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.2 m 57.04 66.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.339 0.59 . . . . 0.0 109.85 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG12 HG23 ' A' ' 50' ' ' THR . 14.2 m -83.39 105.69 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.535 0.684 . . . . 0.0 111.394 -175.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 1.4 m-20 -75.02 162.0 28.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.492 177.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -76.97 -23.12 52.33 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -76.4 -60.49 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.816 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -140.01 144.68 37.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.143 0.497 . . . . 0.0 111.602 -175.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.454 HG23 HG12 ' A' ' 45' ' ' VAL . 24.5 m -85.49 120.13 26.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.777 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' SER . 12.3 m-70 -87.84 118.11 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.796 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 42' ' ' ARG . 96.3 m-85 -100.34 122.42 43.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -101.72 139.86 36.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.267 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 18' ' ' GLY . 22.3 pt -61.94 127.1 21.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.297 0.57 . . . . 0.0 111.008 176.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -102.8 174.25 5.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.175 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' THR . 33.8 tt0 -56.89 -51.27 69.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 111.639 -174.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -33.94 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.572 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.08 -31.91 72.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.478 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.7 m -70.4 -44.16 68.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.917 0.389 . . . . 0.0 110.478 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.7 t -67.44 -40.68 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.032 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.1 85.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.5 -23.59 66.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.506 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 tp -79.43 -12.69 59.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -78.06 146.3 35.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.346 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 C--O 1.244 0.808 0 CA-C-O 119.078 -0.487 . . . . 0.0 109.78 175.335 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -103.69 162.23 13.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.022 0.439 . . . . 0.0 111.359 -174.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 5' ' ' ASP . 15.3 t -123.93 -179.45 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.32 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 7' ' ' PHE . . . -57.11 -31.74 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.0 111.57 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 3' ' ' THR . 13.0 m-20 -66.17 -30.53 71.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 9.7 m-20 -71.49 -35.61 70.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.145 177.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' HA ' HG22 ' A' ' 10' ' ' ILE . 67.8 m-85 -59.28 -39.51 83.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.517 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 85.8 mttt -60.07 -46.93 87.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.175 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.78 -44.89 80.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.845 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -67.24 -32.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.689 0.28 . . . . 0.0 111.139 -176.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 28.2 mtm180 -70.98 -31.57 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.93 -35.89 79.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.238 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.535 HG13 HD21 ' A' ' 40' ' ' LEU . 15.1 mm -57.5 -45.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.806 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.521 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 82.1 m-70 -67.6 -43.25 80.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.171 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 t -60.37 -37.29 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.84 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 m -69.27 -18.6 63.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.116 0.484 . . . . 0.0 111.0 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.67 -15.14 3.14 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.596 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.89 -3.24 10.82 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.783 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -146.66 151.87 37.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.419 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -137.29 120.98 17.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -99.53 123.16 43.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.098 0.475 . . . . 0.0 110.974 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t -112.49 128.32 69.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 99.3 m-85 -64.77 -72.82 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -169.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.21 76.73 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.498 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.0 p -148.27 -169.98 3.48 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -69.23 -14.42 62.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.024 0.44 . . . . 0.0 109.816 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.92 -25.93 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.12 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -71.53 -22.57 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 47.4 mmtt -63.38 -48.38 82.22 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 25.4 Cg_endo -64.32 -22.82 66.11 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.592 1.528 . . . . 0.0 112.215 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -80.57 -47.24 14.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 10.9 pt-20 -66.06 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.9 t70 -66.29 -39.48 89.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 0.0 109.926 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 37' ' ' LEU . 83.1 mt -68.88 -30.03 68.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.05 176.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 96.8 t -62.96 -39.33 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.406 0.622 . . . . 0.0 109.932 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.13 -39.87 86.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.537 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 HD23 ' A' ' 34' ' ' LEU . 96.8 mt -71.46 -25.31 62.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.484 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 100.58 12.52 37.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.359 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 28.1 m0 -87.09 -39.04 15.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.22 0.534 . . . . 0.0 109.651 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 48.5 mt -114.08 161.52 17.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.27 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 44.9 tttp -145.52 134.09 22.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.794 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -91.3 101.08 13.78 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -103.68 -73.77 0.66 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -84.82 112.61 20.68 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.605 HG12 HG23 ' A' ' 50' ' ' THR . 14.1 m -118.82 119.71 61.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.373 0.606 . . . . 0.0 111.555 -178.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.638 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . 54.7 m-20 -113.88 152.86 30.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.127 175.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.1 p -73.18 -23.46 60.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.05 0.453 . . . . 0.0 109.963 175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.638 ' HG2' ' HB3' ' A' ' 46' ' ' ASP . 18.9 ptt180 -73.87 -34.96 64.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.709 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -168.65 127.17 1.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.89 0.376 . . . . 0.0 111.165 -176.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.605 HG23 HG12 ' A' ' 45' ' ' VAL . 77.0 m -84.61 125.84 32.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.176 176.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -94.98 117.0 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.4 m-85 -93.14 122.27 35.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.207 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -99.23 146.16 26.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.112 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.8 pt -66.58 126.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.31 0.576 . . . . 0.0 110.883 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.59 HG22 ' H ' ' A' ' 56' ' ' GLU . 1.3 m -102.09 177.44 4.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.849 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.59 ' H ' HG22 ' A' ' 55' ' ' THR . 14.2 mm-40 -54.84 -50.33 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.671 0.272 . . . . 0.0 111.295 -176.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 99.9 mtt180 -69.6 -27.42 65.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.97 -30.29 61.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.991 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.521 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 75.8 m -72.42 -45.11 61.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.766 0.317 . . . . 0.0 110.875 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 p -68.27 -32.95 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.068 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.708 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . -69.91 -24.21 63.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -85.87 -7.74 58.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.054 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -99.21 98.53 9.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.618 179.323 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.98 142.5 46.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.848 0.356 . . . . 0.0 110.362 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -120.63 -179.86 4.12 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.62 -30.31 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.269 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.61 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.176 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.11 -43.66 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.505 ' HA ' HG22 ' A' ' 10' ' ' ILE . 84.7 m-85 -60.65 -41.02 94.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.4 -43.12 99.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 34' ' ' LEU . 6.5 tt -67.75 -44.5 77.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.567 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.0 tp -71.05 -33.02 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.291 -177.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 3.2 mtm180 -69.27 -33.38 73.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.37 -33.89 71.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.331 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.538 HG13 HD21 ' A' ' 40' ' ' LEU . 16.6 mm -60.83 -37.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.427 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 76.2 m-70 -72.9 -45.04 60.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.839 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -60.44 -32.66 71.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.845 -176.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -82.32 0.55 41.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.014 0.435 . . . . 0.0 111.401 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.93 -23.4 4.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.974 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.24 -13.93 7.88 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.906 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -133.87 145.66 49.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 24.6 tpt180 -132.99 121.43 22.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -100.33 111.1 23.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.335 0.588 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 24' ' ' GLY . 30.7 t -96.06 131.58 42.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 -178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -77.71 3.41 14.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.55 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 100.53 -166.86 19.77 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.179 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.3 m 67.99 -157.41 0.2 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 122.446 0.298 . . . . 0.0 111.079 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.5 HH11 ' HD3' ' A' ' 29' ' ' LYS . 10.9 tpp180 -61.53 -36.61 81.06 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.53 -26.66 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.596 ' HG2' ' HG3' ' A' ' 32' ' ' GLU . 6.9 tt0 -79.02 -21.38 47.02 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.278 -177.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HD3' HH11 ' A' ' 26' ' ' ARG . 27.4 ttpp -51.98 -53.04 56.02 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 23.7 Cg_endo -62.32 -31.52 81.67 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.801 1.668 . . . . 0.0 112.349 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.1 m-85 -70.44 -38.36 74.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 45.3 mt-10 -66.08 -29.36 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.577 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.04 -38.69 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.351 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD23 HD12 ' A' ' 37' ' ' LEU . 67.5 mt -66.75 -27.36 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 178.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 59.4 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.181 0.515 . . . . 0.0 110.173 174.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.38 -35.43 77.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.339 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 HD23 ' A' ' 34' ' ' LEU . 94.4 mt -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.706 175.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.05 12.9 62.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.255 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.409 ' CE3' HD22 ' A' ' 34' ' ' LEU . 41.4 m0 -85.73 -33.97 21.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.155 0.502 . . . . 0.0 110.195 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD21 HG13 ' A' ' 13' ' ' ILE . 39.6 mt -117.25 147.81 42.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.488 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -133.03 137.42 46.46 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.129 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.695 ' HB3' HG22 ' A' ' 45' ' ' VAL . 82.8 mtt180 -78.51 102.13 7.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.577 176.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -87.56 -70.51 0.62 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 51' ' ' HIS . 5.0 m -70.76 -38.2 73.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.254 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 42' ' ' ARG . 45.9 t 53.0 83.54 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.326 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 26.2 t70 -112.75 142.54 45.26 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.808 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.7 m -79.81 -12.0 59.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.073 -172.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -97.08 -50.02 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . -134.49 114.43 12.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.827 174.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.8 m -76.16 110.59 10.77 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.93 0.395 . . . . 0.0 110.289 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.489 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 1.7 m80 -78.62 115.73 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.667 -178.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.0 m-85 -101.42 137.9 39.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.841 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -123.63 143.62 50.12 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -60.92 144.69 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.975 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.28 -172.97 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.488 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.0 -52.25 64.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.23 -42.07 90.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.482 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.3 -35.25 91.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.266 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.433 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 30.9 m -73.88 -39.13 64.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.822 0.344 . . . . 0.0 110.401 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.402 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.9 69.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . -74.66 -28.06 60.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.48 177.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 tp -78.31 -0.02 27.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.172 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.822 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -111.36 143.32 42.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.173 178.485 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.503 -0.76 . . . . 0.0 109.881 179.493 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 ptm . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.761 0.315 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.66 136.57 53.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.411 HG22 ' OD2' ' A' ' 6' ' ' ASP . 10.4 t -98.27 169.49 9.54 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.99 -30.85 66.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.812 0.339 . . . . 0.0 111.282 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.521 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 42.8 m-20 -65.81 -27.83 68.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD2' HG22 ' A' ' 3' ' ' THR . 49.5 m-20 -72.6 -38.92 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.29 -36.45 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.856 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HD2' ' HA ' ' A' ' 5' ' ' ASP . 88.8 mttt -63.95 -47.59 79.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.377 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.17 -45.76 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.468 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.5 tp -70.73 -32.43 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -64.51 -37.64 88.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.451 0.644 . . . . 0.0 109.563 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.68 -30.71 70.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.901 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.474 HG12 ' HA ' ' A' ' 10' ' ' ILE . 29.1 mm -56.16 -39.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.684 173.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -73.17 -39.36 65.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -66.68 -22.97 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.167 0.508 . . . . 0.0 110.42 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -83.11 -3.52 57.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.672 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.57 1.93 15.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.76 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.17 -6.19 61.57 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.868 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -133.62 151.42 51.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.1 tpt180 -146.66 132.1 18.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 50' ' ' THR . 26.2 pt20 -115.36 129.59 56.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 110.631 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 24' ' ' GLY . 40.3 t -126.92 134.62 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.938 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -77.01 -27.52 54.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.068 0.461 . . . . 0.0 111.035 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 140.03 -133.47 6.05 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.846 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t 62.85 -163.38 0.27 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.824 0.345 . . . . 0.0 110.43 177.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -61.91 -24.53 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.153 0.501 . . . . 0.0 110.815 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 36.7 mt-10 -61.62 -45.28 94.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.684 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.402 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 34.7 tt0 -71.53 -21.93 61.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.02 -173.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 88.0 tttt -51.3 -56.11 23.15 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -175.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.8 Cg_endo -66.34 -27.6 47.55 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.785 1.657 . . . . 0.0 112.955 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.447 ' HD1' ' O ' ' A' ' 27' ' ' GLU . 67.5 m-85 -70.26 -47.68 60.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -69.41 -23.66 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.324 0.583 . . . . 0.0 109.869 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.49 -42.86 86.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.361 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 55.9 mt -67.32 -24.27 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.842 178.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 57.9 t -64.37 -39.91 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.77 -39.9 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.165 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.11 -13.57 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.158 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.81 26.9 43.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.28 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.2 m0 -97.53 -33.21 11.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 13' ' ' ILE . 67.0 mt -121.06 153.25 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.922 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -138.15 136.46 36.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.107 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -85.21 101.56 12.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.4 t -82.94 -31.0 27.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 51' ' ' HIS . 44.8 t -143.13 113.73 7.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.0 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.8 t -96.84 91.86 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.194 0.521 . . . . 0.0 109.879 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.706 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 7.7 t70 -79.26 155.59 28.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.765 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -58.22 -28.1 64.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.859 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -117.88 -42.2 2.85 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.987 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.706 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . -118.71 115.88 25.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.138 0.494 . . . . 0.0 111.944 -176.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 18.2 m -81.22 123.07 28.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 44' ' ' SER . 51.2 m-70 -92.04 116.07 28.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.16 143.83 29.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.554 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -122.62 143.12 49.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.859 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.9 pt -65.74 139.4 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 111.743 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -97.69 -177.0 3.64 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 2.0 pm0 -72.66 -38.18 67.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.467 175.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -69.2 -34.23 74.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.66 -31.96 79.78 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.038 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -72.97 -45.07 60.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 0.0 110.491 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -62.7 -39.11 92.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.69 81.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.89 -29.68 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.831 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -79.33 88.23 4.98 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.722 175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.093 179.1 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.408 HG22 ' OD2' ' A' ' 6' ' ' ASP . 11.2 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.15 -30.92 69.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.879 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.18 -30.31 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.378 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.408 ' OD2' HG22 ' A' ' 3' ' ' THR . 72.3 m-20 -75.98 -34.78 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.185 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' HA ' HG22 ' A' ' 10' ' ' ILE . 55.9 m-85 -60.23 -38.48 83.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 174.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.554 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.32 -46.37 23.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.328 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.1 tp -67.91 -32.12 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -70.79 -31.68 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.78 -36.07 80.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.499 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 20' ' ' ARG . 12.0 mm -56.79 -39.78 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.961 178.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -73.34 -39.61 65.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.352 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -67.22 -17.53 64.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.102 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -95.69 6.22 49.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.525 0.679 . . . . 0.0 110.422 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.94 -16.84 18.04 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.236 175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 -30.85 4.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.306 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -106.9 149.66 27.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' HB2' HG23 ' A' ' 13' ' ' ILE . 5.8 tpt85 -143.16 111.7 6.32 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 50' ' ' THR . 16.8 pt20 -96.14 126.47 41.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.083 0.468 . . . . 0.0 110.886 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.94 -179.837 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--O 1.233 0.216 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.7 mmmt -53.27 -53.68 53.41 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.561 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.0 Cg_endo -61.9 -25.39 78.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.712 1.608 . . . . 0.0 112.068 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -71.21 -48.5 51.04 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.604 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.6 pt-20 -72.51 -26.86 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.641 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.82 -37.7 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.873 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.0 mt -66.75 -29.54 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.282 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 88.9 t -63.58 -42.82 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 0.0 109.742 173.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.21 -37.4 87.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.39 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 34' ' ' LEU . 92.5 mt -75.42 -19.67 59.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.306 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.96 14.9 44.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.94 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -91.3 -33.76 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.202 0.525 . . . . 0.0 110.454 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 47.6 mt -119.24 162.11 19.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.859 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -139.79 121.61 15.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.533 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.453 ' NH2' ' HB3' ' A' ' 32' ' ' GLU . 2.4 ptp180 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.084 0.468 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 28.7 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -88.82 117.06 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.637 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -102.17 137.56 40.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.039 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.14 144.23 49.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.852 0.358 . . . . 0.0 110.368 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.34 141.34 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.417 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.7 p -101.78 -169.58 1.7 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.489 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -75.28 -35.61 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.46 -43.25 97.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.682 173.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.46 -31.02 79.34 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.061 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -73.23 -41.63 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 110.495 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t -65.92 -35.15 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.91 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 177.272 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.483 HG22 ' OD2' ' A' ' 6' ' ' ASP . 14.1 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.98 71.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 111.564 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.23 -38.72 90.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.779 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.483 ' OD2' HG22 ' A' ' 3' ' ' THR . 68.0 m-20 -66.32 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -63.53 -35.86 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.04 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -73.32 -36.05 66.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.331 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -45.61 84.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.559 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 tp -67.63 -28.93 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.596 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.26 -37.26 71.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.35 -34.32 70.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.785 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.552 HG13 HD21 ' A' ' 40' ' ' LEU . 17.0 mm -56.17 -41.85 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.304 0.574 . . . . 0.0 109.971 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.9 m-70 -69.15 -38.72 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.053 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.7 m -65.45 -22.51 66.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.18 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 20' ' ' ARG . 6.1 m -93.36 14.36 18.68 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.557 0.694 . . . . 0.0 110.535 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.47 8.88 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.658 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.55 -1.54 69.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.983 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.563 ' HD2' ' HB3' ' A' ' 51' ' ' HIS . 44.5 ttp180 -146.68 130.75 17.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HD2' HG21 ' A' ' 16' ' ' THR . 13.7 tpt180 -119.72 121.28 38.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.698 0.285 . . . . 0.0 110.723 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' THR . 4.3 pt20 -93.15 111.86 23.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 0.0 110.704 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.078 -178.443 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.7 mtmp? -54.05 -51.53 76.47 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -174.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 16.4 Cg_endo -58.93 -35.68 98.17 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.977 1.784 . . . . 0.0 112.281 176.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.65 -38.04 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.56 -27.05 65.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.135 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.65 -37.63 62.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.877 0.37 . . . . 0.0 110.396 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 65.7 mt -63.93 -27.28 69.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.333 177.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.32 -41.98 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.236 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.01 -32.63 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.607 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 HD23 ' A' ' 34' ' ' LEU . 92.0 mt -73.06 -23.4 60.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.574 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.11 31.85 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.251 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 37.0 m0 -94.84 -34.0 12.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.081 0.467 . . . . 0.0 110.212 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.552 HD21 HG13 ' A' ' 13' ' ' ILE . 45.0 mt -119.99 150.14 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.452 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -137.18 117.64 13.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.185 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.4 ptt180 . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 121.479 0.657 . . . . 0.0 111.91 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 24.8 m . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.563 ' HB3' ' HD2' ' A' ' 19' ' ' ARG . 56.0 m-70 -90.88 115.42 27.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.674 0.274 . . . . 0.0 110.536 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.448 ' HB3' HD22 ' A' ' 40' ' ' LEU . 87.0 m-85 -95.1 118.44 31.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.397 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 11.3 tp60 -94.69 142.86 26.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.615 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.9 pt -68.86 135.09 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.716 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 p -95.13 179.78 5.08 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.04 -38.64 88.9 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.53 -44.56 93.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.921 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.28 -28.34 70.72 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.247 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.606 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.0 m -71.96 -44.49 63.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 0.0 110.232 176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -68.24 -41.93 80.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.664 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.733 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 121.082 0.468 . . . . 0.0 111.076 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 5' ' ' ASP . 15.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.73 -36.24 46.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.581 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.5 ' H ' HG23 ' A' ' 3' ' ' THR . 1.8 m-20 -62.0 -37.32 84.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.047 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.486 ' OD1' HG22 ' A' ' 3' ' ' THR . 5.5 m-20 -70.03 -36.15 74.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' HA ' HG22 ' A' ' 10' ' ' ILE . 65.9 m-85 -61.08 -38.54 86.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.241 0.543 . . . . 0.0 110.495 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -70.94 -34.43 71.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.979 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD21 ' CE2' ' A' ' 31' ' ' PHE . 10.1 tt -73.81 -43.44 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.665 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -68.1 -26.61 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -68.07 -38.9 82.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -58.16 -37.13 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.632 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.535 HG13 HD21 ' A' ' 40' ' ' LEU . 12.4 mm -57.05 -39.48 66.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.177 0.513 . . . . 0.0 110.179 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 88.0 m-70 -73.84 -40.19 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.073 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 m -60.09 -35.36 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.967 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -77.85 -2.11 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.65 9.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.999 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.67 -16.86 60.29 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.8 mpt_? -125.43 144.74 50.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -136.39 114.29 11.29 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -89.23 128.8 35.86 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 28' ' ' GLN . 48.1 t . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.521 ' HA ' HG11 ' A' ' 22' ' ' VAL . 35.5 tt0 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 120.696 0.284 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -49.03 -54.05 32.33 Favored Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 31.1 Cg_endo -64.1 -33.58 61.05 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.728 1.619 . . . . 0.0 112.474 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 35' ' ' VAL . 88.3 m-85 -66.26 -42.17 88.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.95 -35.33 79.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.045 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.28 -40.48 77.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.568 HD23 HD12 ' A' ' 37' ' ' LEU . 77.6 mt -64.53 -26.82 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 178.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -61.74 -47.85 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.438 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.42 -37.0 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.49 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 HD23 ' A' ' 34' ' ' LEU . 95.0 mt -68.61 -19.19 64.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.517 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 91.64 14.47 56.77 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.549 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.449 ' CD1' ' HB3' ' A' ' 57' ' ' ARG . 34.7 m0 -90.25 -33.84 16.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.451 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.535 HD21 HG13 ' A' ' 13' ' ' ILE . 61.7 mt -118.58 154.73 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.128 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -134.15 138.1 44.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.162 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 17.7 mtp180 . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.839 0.352 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -86.2 115.24 23.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.35 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.22 128.12 50.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -114.9 146.65 40.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.445 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -62.53 138.15 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.676 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.4 p -105.5 -171.57 1.93 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.927 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.92 -46.56 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 18.9 mmm180 -62.7 -40.2 96.38 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.4 -36.61 93.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.182 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.522 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 86.6 m -71.06 -44.57 65.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.348 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -62.34 -39.13 92.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 111.098 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 178.543 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.8 t . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.26 68.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 111.226 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.405 ' H ' HG23 ' A' ' 3' ' ' THR . 1.4 m-20 -64.02 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -70.92 -39.13 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -60.62 -38.63 85.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.306 0.574 . . . . 0.0 110.429 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -68.32 -34.82 76.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 34' ' ' LEU . 8.9 tt -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.445 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -67.15 -27.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.88 0.372 . . . . 0.0 110.551 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -69.72 -38.27 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.97 -38.21 72.67 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.623 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.617 HG13 HD21 ' A' ' 40' ' ' LEU . 13.8 mm -57.13 -39.76 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.533 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 96.3 m-70 -72.19 -43.34 64.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.089 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -63.54 -21.96 66.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.383 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.5 m -81.34 -7.03 59.51 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.27 0.557 . . . . 0.0 110.646 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.24 4.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.753 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.7 -21.05 45.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.095 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.3 146.07 44.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.106 177.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 tpt85 -127.0 123.65 37.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.649 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' THR . 17.8 pt20 -107.98 111.35 23.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.724 0.773 . . . . 0.0 110.786 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.688 -178.26 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -51.55 -55.75 26.73 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.48 -28.21 77.62 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 121.862 1.708 . . . . 0.0 112.844 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.8 m-85 -65.4 -40.79 93.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 0.0 110.367 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.65 -23.49 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.231 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.72 -40.97 69.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.402 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 9' ' ' LEU . 10.9 mp -69.45 -23.8 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.128 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 98.5 t -63.36 -42.97 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 109.889 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.52 -40.5 97.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.715 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -22.86 65.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.233 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 23.87 22.71 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.183 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -97.38 -35.21 10.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 109.697 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.617 HD21 HG13 ' A' ' 13' ' ' ILE . 64.7 mt -119.8 148.86 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -137.27 125.35 22.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.694 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.194 0.521 . . . . 0.0 110.845 -178.752 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 31.7 m . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -87.61 118.91 27.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.651 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 40' ' ' LEU . 97.3 m-85 -99.73 119.91 38.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.236 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.491 HE21 HG12 ' A' ' 54' ' ' ILE . 31.6 tp60 -96.2 133.14 40.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.117 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.491 HG12 HE21 ' A' ' 53' ' ' GLN . 34.5 pt -61.46 132.82 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.441 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -93.21 -176.33 4.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.5 -41.59 98.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.66 -47.71 74.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.672 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.32 -31.54 77.57 Favored Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.728 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.599 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.3 m -73.04 -39.74 65.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.965 0.412 . . . . 0.0 110.315 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.0 t -71.24 -46.51 60.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.93 82.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.906 0.384 . . . . 0.0 111.833 -174.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.165 -178.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.7 t . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -59.34 -30.1 68.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.706 0.289 . . . . 0.0 111.479 -177.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.447 ' H ' HG23 ' A' ' 3' ' ' THR . 13.9 t70 -59.54 -40.51 87.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -68.63 -35.21 76.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' ILE . 53.8 m-85 -62.36 -36.79 83.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.81 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 86.8 mttt -61.26 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.247 0.546 . . . . 0.0 109.816 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 34' ' ' LEU . 6.7 tt -66.31 -48.82 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.429 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.6 -29.2 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 ttt180 -64.99 -43.34 92.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.111 0.481 . . . . 0.0 109.778 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.76 -36.24 69.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.246 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.622 HG13 HD21 ' A' ' 40' ' ' LEU . 11.8 mm -60.41 -38.73 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.573 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.406 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.5 m-70 -74.48 -33.83 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.196 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -62.11 -30.47 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.652 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 p -87.99 11.05 16.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.671 0.272 . . . . 0.0 111.558 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.62 37.42 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.957 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.25 -1.8 26.73 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.703 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -135.05 134.97 40.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -137.77 119.67 15.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.44 -176.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -97.1 131.43 43.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.739 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.98 177.376 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 36.8 tt0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 78.3 mttt -59.21 -53.0 70.61 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 19.3 Cg_endo -60.99 -26.9 83.95 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.548 1.499 . . . . 0.0 112.261 176.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.0 m-85 -63.6 -44.97 92.44 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.925 0.393 . . . . 0.0 110.087 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.65 -32.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.144 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.53 -39.16 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.419 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 9' ' ' LEU . 56.0 mt -68.96 -23.74 64.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' PHE . 57.9 t -66.69 -39.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.77 -35.5 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.229 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD12 HD23 ' A' ' 34' ' ' LEU . 92.2 mt -75.24 -17.82 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.902 176.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.487 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 85.89 20.88 54.82 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.483 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 31.8 m0 -90.45 -36.05 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.622 HD21 HG13 ' A' ' 13' ' ' ILE . 38.8 mt -114.15 148.39 37.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -134.22 105.08 6.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.839 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 121.241 0.543 . . . . 0.0 110.156 177.667 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -88.87 115.97 26.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HB3' HD22 ' A' ' 40' ' ' LEU . 96.8 m-85 -99.73 125.27 45.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.418 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -106.08 142.47 35.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.076 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.98 137.99 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.528 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.4 p -96.54 177.38 5.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.31 -38.83 88.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.236 0.541 . . . . 0.0 109.724 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.487 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 37.8 ttm180 -68.58 -42.43 78.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.212 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.0 -28.51 72.19 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.0 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.406 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 56.3 m -73.43 -44.81 57.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.807 0.337 . . . . 0.0 110.331 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 t -62.24 -39.68 93.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.39 88.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.194 -178.508 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.7 t . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.628 0.251 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.3 70.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 3' ' ' THR . 10.3 m-20 -60.09 -40.4 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.53 -41.63 84.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.217 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.47 -35.39 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.531 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.23 -40.24 52.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.59 -41.6 83.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.44 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 62' ' ' ALA . 10.7 tp -66.5 -28.58 43.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.135 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 3.6 tmt_? -68.96 -37.98 79.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.04 -35.85 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.099 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.556 HG13 HD21 ' A' ' 40' ' ' LEU . 19.0 mm -57.52 -41.27 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.155 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 79.5 m-70 -71.15 -38.14 72.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.082 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 m -62.12 -26.43 68.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -86.6 -0.23 55.77 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 0.0 110.844 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.5 16.21 11.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.532 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.55 0.68 90.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.266 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 19' ' ' ARG . 31.1 ttt180 -144.13 124.24 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -128.0 123.34 34.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.689 0.28 . . . . 0.0 110.391 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.51 130.82 49.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 0.0 110.878 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.311 178.475 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 38.7 ttpt -51.21 -53.63 46.8 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -175.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 27.0 Cg_endo -62.76 -28.1 75.97 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.796 1.664 . . . . 0.0 112.636 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.0 m-85 -71.5 -41.8 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.262 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.66 -34.33 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.749 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.96 -40.36 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD23 HD12 ' A' ' 37' ' ' LEU . 77.2 mt -66.8 -30.68 70.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' PHE . 73.3 t -65.23 -38.38 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.538 . . . . 0.0 109.905 174.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.61 -35.22 77.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD12 HD23 ' A' ' 34' ' ' LEU . 95.6 mt -76.17 -20.81 57.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.415 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 92.12 15.97 52.17 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.637 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -89.68 -31.94 17.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.658 . . . . 0.0 109.644 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 13' ' ' ILE . 35.1 mt -118.3 155.8 29.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.461 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -146.99 132.68 18.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 . . . . . 0 N--CA 1.445 -0.715 0 CA-C-O 121.419 0.628 . . . . 0.0 109.79 177.35 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 120.643 0.259 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -94.71 115.2 27.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.367 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HB3' HD22 ' A' ' 40' ' ' LEU . 86.2 m-85 -99.9 138.01 37.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.22 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -120.93 148.57 43.9 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 pt -64.56 133.28 30.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.506 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.0 p -97.74 -173.5 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.25 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -59.46 -50.45 73.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.464 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 83.2 mtt180 -65.77 -41.2 92.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.49 -30.21 76.12 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.487 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.58 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 89.9 m -73.34 -41.8 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.933 0.397 . . . . 0.0 110.173 175.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.4 t -64.16 -51.23 64.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.975 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.66 88.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.566 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.846 -175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.74 -30.9 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.269 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -60.24 -37.5 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -70.12 -44.03 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.517 ' HA ' HG22 ' A' ' 10' ' ' ILE . 82.7 m-85 -60.71 -41.31 94.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.201 0.524 . . . . 0.0 110.596 176.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.43 -36.03 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.015 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.79 -44.57 27.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -68.34 -32.46 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.461 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -71.08 -30.37 66.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 109.82 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.313 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.26 -42.84 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.932 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.61 -40.54 76.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.978 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -61.56 -30.21 70.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.802 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -75.64 -15.11 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.594 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.25 -13.07 5.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.227 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.32 -1.35 26.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.545 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -145.91 131.78 19.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -130.76 119.89 22.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.441 -176.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -105.54 115.89 31.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.216 0.532 . . . . 0.0 110.632 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.691 -179.656 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 9.2 tt0 . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 61.6 tttm -52.84 -53.26 56.64 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 14.3 Cg_endo -58.48 -27.28 81.52 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.823 1.682 . . . . 0.0 112.519 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 40.3 m-85 -69.78 -48.67 58.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.689 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.31 -25.71 61.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.061 0.458 . . . . 0.0 110.131 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -40.74 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.325 172.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.9 mt -67.73 -27.74 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.662 177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.92 -41.48 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.013 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.13 -37.3 86.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.135 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 34' ' ' LEU . 93.3 mt -74.45 -17.42 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.927 176.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 89.54 15.52 58.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.522 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.4 m0 -88.53 -34.03 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.145 0.498 . . . . 0.0 110.584 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 40' ' ' LEU . 35.8 mt -118.66 158.03 26.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.002 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -131.84 143.95 50.54 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.241 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 . . . . . 0 C--N 1.315 -0.904 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.773 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -88.97 115.43 26.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.733 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -100.78 135.88 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.4 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -110.23 142.78 41.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.068 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -67.84 146.52 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.969 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -112.89 -173.88 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.287 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.62 -48.36 75.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 97.1 mtt180 -60.88 -39.56 89.68 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.684 176.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.57 -33.41 86.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.212 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -73.4 -45.95 51.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.055 0.455 . . . . 0.0 110.305 176.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 t -65.99 -30.86 71.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.052 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.17 51.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.66 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.576 -177.144 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.93 -30.03 69.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.78 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.79 -37.79 88.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.708 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 71.5 m-20 -67.44 -41.99 83.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HA ' HG22 ' A' ' 10' ' ' ILE . 78.9 m-85 -62.18 -40.55 96.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.101 0.477 . . . . 0.0 110.552 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -61.62 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.416 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 30' ' ' PRO . 9.1 tt -68.12 -47.76 67.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.015 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.6 tp -65.44 -29.28 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 110.465 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -70.88 -35.65 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 31.7 t70 -60.14 -35.17 74.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.574 HG13 HD21 ' A' ' 40' ' ' LEU . 13.0 mm -59.5 -37.46 70.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.4 m-70 -74.32 -37.55 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -67.01 -26.69 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.503 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -88.89 6.18 40.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.731 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 -0.22 24.43 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.128 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.8 -14.23 60.4 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.901 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -131.24 131.16 43.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.3 tpt180 -131.31 121.9 25.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -97.22 127.14 42.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.075 0.464 . . . . 0.0 110.139 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.247 -179.265 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -49.43 -53.94 35.24 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.2 Cg_endo -60.34 -31.05 92.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.987 1.791 . . . . 0.0 112.622 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 9' ' ' LEU . 86.2 m-85 -66.8 -49.08 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.7 -33.47 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.586 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.5 -42.85 86.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.2 mt -66.35 -24.25 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 31' ' ' PHE . 94.2 t -62.71 -38.84 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.974 0.416 . . . . 0.0 110.338 175.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.52 -36.22 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 34' ' ' LEU . 95.6 mt -69.3 -17.53 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.684 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.81 16.71 57.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.171 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.8 m0 -89.37 -33.38 16.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.305 0.574 . . . . 0.0 109.946 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 13' ' ' ILE . 49.7 mt -118.71 150.45 39.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.768 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -129.87 125.95 36.82 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.34 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HD2' HG21 ' A' ' 50' ' ' THR . 36.5 mtm180 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.498 HG21 ' HD2' ' A' ' 42' ' ' ARG . 63.4 m . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -88.16 121.19 30.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.68 0.276 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 40' ' ' LEU . 93.5 m-85 -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.524 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -110.57 137.62 48.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.817 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 pt -64.93 135.02 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 p -101.41 -178.81 3.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -39.33 93.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -68.05 -42.78 79.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.242 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.19 -30.16 77.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.503 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 44.0 m -73.51 -44.93 56.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.026 0.441 . . . . 0.0 110.448 175.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -65.79 -40.9 92.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.13 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -55.06 -33.7 62.96 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.564 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 12.5 t70 -68.91 -32.17 71.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.896 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.77 -37.28 76.33 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.002 0.429 . . . . 0.0 110.049 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' HA ' HG22 ' A' ' 10' ' ' ILE . 62.7 m-85 -60.52 -36.79 79.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.11 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' A' ' 5' ' ' ASP . 76.3 mttt -59.18 -49.91 76.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.443 0.64 . . . . 0.0 109.622 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.59 -46.77 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.946 -174.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.53 -31.81 55.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.976 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -72.1 -35.31 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.197 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.9 -38.22 72.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.6 HG13 HD21 ' A' ' 40' ' ' LEU . 13.3 mm -55.39 -39.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.916 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -69.25 -48.82 60.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.245 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.8 t -63.18 -30.17 71.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.208 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.3 m -72.94 -18.44 61.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.024 0.44 . . . . 0.0 110.968 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.54 22.04 1.53 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.35 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.2 -32.02 6.83 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.338 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -129.37 141.13 51.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.025 0.44 . . . . 0.0 110.442 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.71 121.57 33.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.99 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.67 131.9 41.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.103 0.477 . . . . 0.0 110.537 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.024 177.789 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 28.1 tt0 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 60.2 tttp -51.13 -51.94 63.28 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 19.2 Cg_endo -60.57 -30.44 90.62 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.942 1.762 . . . . 0.0 112.217 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.2 m-85 -68.36 -42.91 78.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.905 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.95 -32.75 74.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.713 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.1 -33.47 70.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.29 -26.76 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.641 176.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 31' ' ' PHE . 67.5 t -64.36 -37.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.214 0.531 . . . . 0.0 109.751 173.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.55 -35.25 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.519 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.94 -25.5 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.741 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.01 18.93 41.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.904 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -87.8 -34.26 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.265 0.555 . . . . 0.0 109.822 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.6 HD21 HG13 ' A' ' 13' ' ' ILE . 42.1 mt -116.75 149.4 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.029 177.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -136.35 134.73 38.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.092 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 42' ' ' ARG . 13.5 mtm-85 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.319 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -88.28 117.67 27.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.361 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' HB3' HD22 ' A' ' 40' ' ' LEU . 97.1 m-85 -105.76 116.66 32.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 174.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -105.72 147.19 28.84 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.786 0.327 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -58.61 142.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.523 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 p -107.47 -176.41 3.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.806 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.41 -34.93 76.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.286 0.565 . . . . 0.0 110.071 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.87 -40.39 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.63 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.68 -31.04 78.65 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.032 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 58.3 m -72.74 -43.99 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.984 0.421 . . . . 0.0 110.38 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.7 t -65.15 -35.71 81.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.72 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.63 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.021 0.438 . . . . 0.0 110.969 -179.701 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.59 -31.99 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.867 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -30.6 68.44 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.601 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.7 -40.48 92.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -61.79 -37.84 85.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.404 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -70.76 -43.23 69.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.701 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.91 -44.24 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.677 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -69.23 -30.06 44.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -70.76 -35.48 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -37.3 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.818 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.477 HG13 HD21 ' A' ' 40' ' ' LEU . 17.7 mm -56.81 -41.18 75.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.093 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.717 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.5 m-70 -68.78 -42.93 76.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.6 m -65.79 -25.43 67.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 m -77.75 -12.11 59.94 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.219 0.533 . . . . 0.0 110.52 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.06 0.14 8.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.776 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.58 -11.89 53.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.637 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.21 137.34 48.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -132.16 114.87 15.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.79 0.328 . . . . 0.0 110.563 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -89.43 119.55 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.058 0.456 . . . . 0.0 110.019 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.948 -178.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.968 0.413 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 14.5 tmtt? -50.61 -54.8 31.89 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.377 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.12 -22.63 54.14 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.724 1.616 . . . . 0.0 112.985 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -76.67 -40.12 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.525 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 2.0 pp20? -69.81 -25.59 63.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.247 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.79 -39.91 87.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.703 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 68.7 mt -65.36 -27.29 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.631 178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 48.5 t -63.66 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 174.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.25 -38.47 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.242 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -78.4 -12.55 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.634 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.81 19.41 57.97 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.456 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 26.2 m0 -91.01 -37.18 13.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 52.7 mt -121.78 157.5 30.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.606 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -146.39 118.88 8.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.441 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.483 ' HD2' HG21 ' A' ' 50' ' ' THR . 29.0 ptt180 . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.141 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.483 HG21 ' HD2' ' A' ' 42' ' ' ARG . 11.9 m . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -87.32 115.95 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.738 0.304 . . . . 0.0 110.642 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -98.09 125.55 43.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -102.29 138.84 38.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.1 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 pt -59.28 126.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 0.0 110.943 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -102.61 178.35 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 55' ' ' THR . 8.4 pt-20 -51.56 -52.29 48.44 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 84.9 mtt180 -71.39 -27.54 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.773 0.321 . . . . 0.0 110.445 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.35 -35.93 77.34 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.028 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.717 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 48.3 m -70.68 -38.12 73.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.994 0.426 . . . . 0.0 110.222 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.1 t -68.48 -39.01 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.921 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.98 74.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.578 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.272 0.558 . . . . 0.0 110.479 177.523 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 5' ' ' ASP . 13.3 t . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.09 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.332 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.401 ' H ' HG23 ' A' ' 3' ' ' THR . 22.1 t70 -62.24 -38.73 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.946 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -69.97 -46.26 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -59.5 -38.06 79.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.233 0.54 . . . . 0.0 110.674 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -66.33 -41.62 89.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.54 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 30' ' ' PRO . 8.6 tt -68.84 -45.28 71.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.699 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.5 -29.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.539 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 11' ' ' ARG . 20.9 ttt180 -66.5 -39.21 88.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 109.699 175.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.14 -35.51 77.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.766 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.458 HG13 HD21 ' A' ' 40' ' ' LEU . 13.6 mm -58.29 -41.35 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 92.9 m-70 -68.2 -43.35 78.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.422 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -67.81 -19.69 65.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.23 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.423 HG21 ' HD2' ' A' ' 20' ' ' ARG . 36.5 m -80.66 -18.32 48.39 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.102 0.477 . . . . 0.0 110.535 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 8.18 4.47 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.789 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.68 5.99 68.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.584 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -146.73 142.5 27.86 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 16' ' ' THR . 18.5 tpt180 -141.95 129.24 21.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 50' ' ' THR . 4.0 pt20 -116.72 117.01 28.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.432 0.634 . . . . 0.0 111.076 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.877 -179.649 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 35.6 tt0 . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tmtt? -57.33 -53.34 66.42 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-O 119.538 -0.267 . . . . 0.0 111.603 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.488 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.5 Cg_endo -57.42 -27.55 76.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.75 1.633 . . . . 0.0 112.144 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.4 m-85 -67.78 -50.43 57.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 9.8 pt-20 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 110.206 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.9 -45.0 87.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.723 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 30' ' ' PRO . 8.5 mp -66.85 -25.15 66.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.077 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 94.5 t -61.48 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.112 173.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.98 -38.31 90.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.26 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.58 -25.29 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.66 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.84 47.55 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.212 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -89.99 -34.3 16.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.096 0.474 . . . . 0.0 110.823 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 58.4 mt -118.87 156.96 28.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.608 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -140.15 114.7 9.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.097 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' HIS . 27.0 ptt180 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 14.4 m . . . . . 0 N--CA 1.447 -0.606 0 CA-C-O 120.644 0.259 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 27.3 m-70 -89.26 115.09 26.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' HB3' HD22 ' A' ' 40' ' ' LEU . 96.0 m-85 -104.69 119.16 38.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.809 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.56 149.07 25.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 pt -69.19 140.78 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.179 0.514 . . . . 0.0 111.858 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.1 p -108.92 -173.82 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.116 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.93 -47.57 85.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.6 -39.85 95.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.74 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.01 -29.84 75.15 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.092 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.473 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 31.3 m -73.86 -44.01 56.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 p -68.1 -33.62 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.371 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.43 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.839 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.54 -176.165 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -60.13 -31.05 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.009 -177.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -32.81 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.247 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.98 -36.72 62.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.97 0.414 . . . . 0.0 109.98 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' HA ' HG22 ' A' ' 10' ' ' ILE . 68.4 m-85 -59.72 -35.79 75.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.592 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 29.3 mtpp -62.84 -40.01 96.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.717 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.02 -43.91 66.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.35 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.4 tp -69.0 -30.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.73 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -63.83 -38.14 90.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.067 0.461 . . . . 0.0 109.866 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.63 -38.65 81.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.823 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.542 HG13 HD21 ' A' ' 40' ' ' LEU . 14.4 mm -57.95 -36.11 54.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 83.6 m-70 -73.39 -45.65 53.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.932 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -62.4 -33.94 75.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.074 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.457 HG21 ' HB2' ' A' ' 20' ' ' ARG . 13.8 t -81.27 12.25 3.69 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.872 0.368 . . . . 0.0 111.66 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.11 14.1 19.65 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.213 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.14 -7.01 83.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.793 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -146.55 133.98 20.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.892 0.377 . . . . 0.0 110.536 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HB2' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -128.95 129.06 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.658 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.8 134.86 44.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 0.0 110.329 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 28' ' ' GLN . 39.0 t . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.935 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' HA ' HG11 ' A' ' 22' ' ' VAL . 33.6 tt0 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.609 0.243 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 15.4 tppt? -61.78 -51.17 77.93 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -175.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 18.1 Cg_endo -59.54 -21.96 64.38 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.948 1.765 . . . . 0.0 112.28 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.6 m-85 -78.04 -38.69 44.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.249 176.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.32 -31.06 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.015 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.42 -38.92 75.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.172 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 66.3 mt -76.66 -28.58 56.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.919 177.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 31' ' ' PHE . 93.1 t -65.98 -40.55 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.971 0.415 . . . . 0.0 110.288 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.66 -34.15 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.396 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.97 -18.18 47.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.854 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.99 15.91 52.7 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.696 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 40.2 m0 -86.04 -32.95 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.249 0.547 . . . . 0.0 110.491 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.542 HD21 HG13 ' A' ' 13' ' ' ILE . 52.6 mt -119.12 161.29 20.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.448 177.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -137.4 120.0 16.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.285 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 10.7 ptm180 . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.052 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.447 -0.586 0 CA-C-O 120.637 0.256 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -91.12 117.48 29.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.823 -177.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 42' ' ' ARG . 96.0 m-85 -104.15 123.8 47.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.074 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -112.32 150.5 30.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.305 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.3 pt -65.42 134.46 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -103.45 -174.24 2.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.546 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.8 mp0 -60.02 -50.23 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.24 -40.63 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.503 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.62 -34.29 89.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.21 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.578 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.38 -44.62 58.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.02 0.438 . . . . 0.0 110.337 175.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -61.24 -37.29 82.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.881 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.65 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 0.0 110.73 -179.815 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.559 HG22 ' OD2' ' A' ' 6' ' ' ASP . 13.8 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' A' ' 7' ' ' PHE . . . -59.28 -31.2 68.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.539 ' H ' HG23 ' A' ' 3' ' ' THR . 3.8 m-20 -69.59 -32.37 71.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.909 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.559 ' OD2' HG22 ' A' ' 3' ' ' THR . 22.5 m-20 -71.26 -33.26 69.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' ILE . 49.3 m-85 -61.02 -35.1 75.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.339 172.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -66.78 -40.2 88.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.623 174.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD22 HD22 ' A' ' 34' ' ' LEU . 7.4 tt -64.49 -48.22 76.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.447 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG23 ' HB2' ' A' ' 62' ' ' ALA . 9.2 tp -67.94 -31.36 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.789 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 41.9 ttm180 -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 9.5 t70 -56.08 -38.35 70.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.555 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.631 HG13 HD21 ' A' ' 40' ' ' LEU . 10.2 mm -58.02 -39.91 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.291 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.692 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.2 m-70 -72.23 -41.92 66.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -60.66 -31.04 70.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -83.76 4.12 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.393 0.616 . . . . 0.0 111.111 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.57 23.1 7.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.213 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.99 1.76 86.59 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.284 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -147.0 143.78 28.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 4.6 tpp180 -135.58 120.44 18.54 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -100.54 111.95 24.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.299 0.571 . . . . 0.0 110.214 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.642 -179.74 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 84.6 mt-30 . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 87.7 tttt -48.52 -53.37 36.09 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -173.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 28.6 Cg_endo -63.3 -36.89 53.76 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.741 1.628 . . . . 0.0 112.216 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.4 m-85 -63.56 -37.15 86.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 28' ' ' GLN . 41.2 mt-10 -61.83 -30.41 70.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.206 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.44 -35.91 63.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.41 . . . . 0.0 110.535 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.463 HD22 HD22 ' A' ' 9' ' ' LEU . 11.3 mp -68.76 -24.13 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.389 176.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' PHE . 86.1 t -63.47 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.902 173.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.41 -19.47 65.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.188 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.46 21.04 49.88 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.069 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -91.21 -37.04 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.349 0.595 . . . . 0.0 109.48 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.631 HD21 HG13 ' A' ' 13' ' ' ILE . 41.4 mt -115.73 160.73 19.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.816 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 34.1 ttpt -138.19 131.35 30.18 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.726 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.12 -177.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.793 0.33 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -81.43 117.61 22.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.27 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 40' ' ' LEU . 92.7 m-85 -97.34 115.86 28.47 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -100.56 143.76 30.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.388 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.04 134.93 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.204 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.4 p -95.74 179.73 5.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.716 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.55 -46.02 90.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 174.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -65.64 -41.15 92.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.419 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.69 73.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.295 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.692 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.5 -44.92 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.941 0.401 . . . . 0.0 110.176 175.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.88 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.4 -47.63 72.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.038 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 10' ' ' ILE . . . . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 6' ' ' ASP . 15.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.6 -32.51 67.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.818 0.342 . . . . 0.0 111.319 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.666 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 19.6 t70 -59.22 -40.87 87.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.547 ' HB3' HD21 ' A' ' 34' ' ' LEU . 66.5 m-20 -67.98 -37.92 82.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 53.5 m-85 -60.28 -41.99 94.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.73 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 5' ' ' ASP . 48.1 mtmt -63.86 -41.83 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.308 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 10.2 tt -69.12 -42.27 76.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.065 -176.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.36 -32.69 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.712 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 73.2 mtp180 -71.96 -29.26 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.984 0.421 . . . . 0.0 110.222 175.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 16.1 t70 -60.63 -37.38 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.913 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.549 HG13 HD21 ' A' ' 40' ' ' LEU . 10.5 mm -59.28 -42.34 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.226 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -68.82 -42.53 77.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.214 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 m -60.74 -36.27 78.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -81.88 4.24 23.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.81 -13.55 7.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.061 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.64 14.24 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.142 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -131.67 149.05 52.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.2 tpm_? -140.43 119.76 13.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.203 -176.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -99.17 135.27 40.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.838 0.351 . . . . 0.0 110.158 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 24.1 t . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 94.6 mt-30 . . . . . 0 C--O 1.225 -0.19 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 29' ' ' LYS . 51.9 mtpt -44.39 -59.65 3.67 Favored Pre-proline 0 N--CA 1.469 0.481 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 36.7 Cg_endo -65.39 -28.57 54.47 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.755 1.636 . . . . 0.0 112.254 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m-85 -71.56 -48.08 50.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.635 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 9.9 pt-20 -72.37 -23.96 61.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.916 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.17 -44.98 96.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.24 0.543 . . . . 0.0 109.611 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 6' ' ' ASP . 58.7 mt -68.17 -27.71 66.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.93 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' PHE . 78.9 t -63.2 -43.63 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.37 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.58 -33.87 74.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.518 HD12 HD23 ' A' ' 34' ' ' LEU . 89.3 mt -72.05 -24.32 61.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.636 175.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.56 9.52 46.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.931 176.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -85.13 -35.25 21.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.0 110.247 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD21 HG13 ' A' ' 13' ' ' ILE . 48.3 mt -115.02 157.63 23.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.676 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 85.9 tttt -133.63 134.3 43.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.668 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.588 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.445 -0.693 0 CA-C-O 120.894 0.378 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -88.48 115.35 25.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 94.2 m-85 -97.08 138.36 34.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -121.03 141.86 50.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.7 pt -65.78 131.62 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 111.24 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -96.31 -178.7 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.85 -42.68 84.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.35 -46.45 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.308 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.82 -29.0 71.07 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.383 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.428 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 23.9 m -73.99 -48.2 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.917 0.389 . . . . 0.0 110.073 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -61.19 -37.38 82.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.55 91.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.092 0.473 . . . . 0.0 110.55 178.73 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.578 HG22 ' OD2' ' A' ' 6' ' ' ASP . 7.2 t . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.54 70.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.665 0.269 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.563 ' H ' HG23 ' A' ' 3' ' ' THR . 36.4 t70 -71.05 -28.35 64.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.578 ' OD2' HG22 ' A' ' 3' ' ' THR . 8.1 m-20 -66.43 -42.98 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' HA ' HG22 ' A' ' 10' ' ' ILE . 70.6 m-85 -61.7 -42.05 98.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.96 173.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 26.3 tttm -57.56 -41.86 81.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.632 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 34' ' ' LEU . 7.9 tt -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.945 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 7' ' ' PHE . 11.2 tp -68.65 -31.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.901 -177.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG2' ' HB1' ' A' ' 62' ' ' ALA . 20.0 mtm180 -68.62 -37.44 79.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.07 -37.49 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.457 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.523 HG13 HD21 ' A' ' 40' ' ' LEU . 14.7 mm -58.38 -45.22 89.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.348 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -68.68 -37.73 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -68.45 -14.89 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.475 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -90.25 -1.33 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.462 0.648 . . . . 0.0 109.941 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.16 -5.69 23.54 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.04 -15.71 13.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.953 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -132.71 139.51 47.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' ' HE2' ' A' ' 31' ' ' PHE . 25.4 tpt180 -128.3 132.09 48.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.37 120.7 41.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.418 0.628 . . . . 0.0 111.095 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.171 179.273 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.538 0.209 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.3 mmmt -54.78 -51.79 75.99 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 31.0 Cg_endo -66.64 -23.9 48.73 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 121.64 1.56 . . . . 0.0 112.458 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' HE2' ' HG2' ' A' ' 20' ' ' ARG . 44.2 m-85 -75.07 -47.61 27.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.08 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.78 -24.62 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.536 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.73 -44.92 80.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 58.5 mt -64.44 -23.98 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.971 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.71 -39.54 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.979 0.419 . . . . 0.0 110.161 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.27 -36.69 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.156 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD12 HD23 ' A' ' 34' ' ' LEU . 98.4 mt -73.64 -17.48 61.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.3 2.92 60.28 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.85 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 24.5 m0 -77.69 -38.73 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 13' ' ' ILE . 40.8 mt -114.05 156.04 24.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -132.6 121.31 23.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.753 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.163 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -83.52 114.77 21.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -96.45 121.0 37.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.32 0.581 . . . . 0.0 110.373 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -104.13 138.97 39.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.118 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.28 140.99 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.018 0.437 . . . . 0.0 111.398 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.0 p -107.93 -174.19 2.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.344 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -63.49 -49.42 73.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.224 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.72 -29.85 75.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.798 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.2 m -73.13 -46.77 49.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.836 0.35 . . . . 0.0 110.302 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -68.22 -37.38 80.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.22 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 111.09 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.763 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.559 HG22 ' OD2' ' A' ' 6' ' ' ASP . 12.8 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.16 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.987 0.423 . . . . 0.0 111.307 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.539 ' H ' HG23 ' A' ' 3' ' ' THR . 18.8 t70 -64.06 -41.85 97.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.01 177.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.559 ' OD2' HG22 ' A' ' 3' ' ' THR . 44.8 m-20 -65.32 -34.38 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -60.48 -35.35 75.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.15 -34.2 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.966 0.413 . . . . 0.0 110.224 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.414 HD22 HD22 ' A' ' 34' ' ' LEU . 6.6 tt -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.75 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.3 tp -68.78 -29.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 35.7 ttm-85 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.562 ' HA ' ' OG ' ' A' ' 15' ' ' SER . 14.0 t70 -60.34 -34.36 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.098 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 40' ' ' LEU . 17.4 mm -58.49 -36.13 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.329 0.585 . . . . 0.0 110.074 176.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.0 m-70 -75.34 -40.52 58.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.562 ' OG ' ' HA ' ' A' ' 12' ' ' ASP . 94.7 p -68.84 -28.75 67.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.203 -175.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.4 p -82.7 6.2 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.952 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 3.13 16.2 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.282 175.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.79 -8.34 57.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.948 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.489 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 7.0 ppt_? -146.3 146.9 30.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -129.96 126.43 37.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 50' ' ' THR . 15.4 pt20 -108.83 114.34 28.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.302 0.573 . . . . 0.0 110.636 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.994 -177.847 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.717 0.294 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 86.4 tttt -49.83 -50.02 70.24 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 37.3 Cg_endo -66.9 -27.77 43.08 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.634 1.556 . . . . 0.0 112.625 177.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -70.01 -42.86 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.221 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.63 -25.17 64.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.905 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 14.5 t70 -66.42 -36.25 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.136 0.493 . . . . 0.0 109.734 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.7 mp -73.6 -24.11 60.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.323 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.84 -42.28 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 109.652 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.05 -37.59 83.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.47 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 34' ' ' LEU . 80.2 mt -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.269 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.16 21.11 55.98 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.824 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -92.27 -36.42 13.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.237 0.542 . . . . 0.0 109.902 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 13' ' ' ILE . 73.9 mt -114.93 148.09 39.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.465 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -127.58 132.35 49.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.922 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 175.763 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 14.6 m . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.603 0.24 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -91.4 117.76 29.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.203 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HB3' HD22 ' A' ' 40' ' ' LEU . 98.7 m-85 -104.88 120.71 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -101.54 148.53 25.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 pt -68.87 138.11 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -98.31 177.04 5.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.613 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.6 pm0 -70.34 -29.45 66.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.91 -44.23 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.58 70.6 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.947 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.519 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 77.8 m -69.85 -44.59 69.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.993 0.425 . . . . 0.0 110.4 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.5 t -67.17 -45.92 75.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.575 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.57 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.583 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.616 -177.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.424 HG22 ' OD2' ' A' ' 6' ' ' ASP . 14.6 t . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.36 -32.49 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -74.11 -25.9 60.04 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.215 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.424 ' OD2' HG22 ' A' ' 3' ' ' THR . 73.8 m-20 -72.86 -33.24 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -59.56 -37.18 77.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -65.46 -44.43 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.84 -45.18 93.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.804 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.55 -31.64 51.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.738 0.304 . . . . 0.0 110.94 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.53 -36.24 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.498 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.544 HG13 HD21 ' A' ' 40' ' ' LEU . 14.7 mm -58.09 -43.89 86.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.216 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -69.13 -41.01 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.007 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.3 m -63.15 -27.31 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.025 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 m -76.09 -18.74 59.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.832 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.57 -11.24 4.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.58 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 54' ' ' ILE . . . 120.72 -29.83 5.72 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -125.73 135.05 51.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 0.0 110.354 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -128.16 115.19 18.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.408 -175.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -90.81 129.33 36.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.075 0.464 . . . . 0.0 110.69 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.733 177.643 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 41.7 tt0 . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 120.706 0.288 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.34 -53.77 61.53 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.3 Cg_endo -58.28 -29.84 89.1 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.888 1.725 . . . . 0.0 112.639 176.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.1 m-85 -61.7 -43.8 98.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.13 0.49 . . . . 0.0 109.789 175.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.62 -31.18 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.375 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.11 -40.07 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.135 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.9 mt -65.61 -30.46 71.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.591 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -62.89 -42.12 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.215 0.531 . . . . 0.0 109.772 174.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.04 -33.55 76.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.21 -16.88 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.301 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.07 41.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 23.1 m0 -93.15 -35.9 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 13' ' ' ILE . 61.9 mt -121.13 156.54 32.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.431 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -139.87 121.71 15.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.051 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 65.9 mtm180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.147 0.499 . . . . 0.0 110.093 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -87.84 118.11 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.796 -176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 42' ' ' ARG . 96.3 m-85 -100.34 122.42 43.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -101.72 139.86 36.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.267 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 18' ' ' GLY . 22.3 pt -61.94 127.1 21.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.297 0.57 . . . . 0.0 111.008 176.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -102.8 174.25 5.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.175 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' THR . 33.8 tt0 -56.89 -51.27 69.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 111.639 -174.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -33.94 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.572 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.08 -31.91 72.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.478 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.7 m -70.4 -44.16 68.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.917 0.389 . . . . 0.0 110.478 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.7 t -67.44 -40.68 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.032 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.1 85.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.506 -178.429 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 5' ' ' ASP . 15.3 t . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 7' ' ' PHE . . . -57.11 -31.74 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.0 111.57 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 3' ' ' THR . 13.0 m-20 -66.17 -30.53 71.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.49 -35.61 70.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.145 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' HA ' HG22 ' A' ' 10' ' ' ILE . 67.8 m-85 -59.28 -39.51 83.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.517 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 85.8 mttt -60.07 -46.93 87.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.175 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.78 -44.89 80.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.845 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -67.24 -32.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.689 0.28 . . . . 0.0 111.139 -176.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 28.2 mtm180 -70.98 -31.57 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.93 -35.89 79.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.238 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.535 HG13 HD21 ' A' ' 40' ' ' LEU . 15.1 mm -57.5 -45.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.806 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.521 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 82.1 m-70 -67.6 -43.25 80.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.171 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 t -60.37 -37.29 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.84 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 m -69.27 -18.6 63.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.116 0.484 . . . . 0.0 111.0 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.67 -15.14 3.14 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.596 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.89 -3.24 10.82 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.783 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -146.66 151.87 37.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.419 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -137.29 120.98 17.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.53 123.16 43.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.098 0.475 . . . . 0.0 110.974 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.598 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 47.4 mmtt -63.38 -48.38 82.22 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 25.4 Cg_endo -64.32 -22.82 66.11 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.592 1.528 . . . . 0.0 112.215 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -80.57 -47.24 14.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 10.9 pt-20 -66.06 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.9 t70 -66.29 -39.48 89.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 0.0 109.926 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 37' ' ' LEU . 83.1 mt -68.88 -30.03 68.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.05 176.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 96.8 t -62.96 -39.33 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.406 0.622 . . . . 0.0 109.932 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.13 -39.87 86.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.537 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 HD23 ' A' ' 34' ' ' LEU . 96.8 mt -71.46 -25.31 62.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.484 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 100.58 12.52 37.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.359 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 28.1 m0 -87.09 -39.04 15.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.22 0.534 . . . . 0.0 109.651 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 48.5 mt -114.08 161.52 17.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.27 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 44.9 tttp -145.52 134.09 22.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.794 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 . . . . . 0 C--N 1.317 -0.804 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.504 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -94.98 117.0 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.4 m-85 -93.14 122.27 35.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.207 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.23 146.16 26.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.112 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.8 pt -66.58 126.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.31 0.576 . . . . 0.0 110.883 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.59 HG22 ' H ' ' A' ' 56' ' ' GLU . 1.3 m -102.09 177.44 4.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.849 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.59 ' H ' HG22 ' A' ' 55' ' ' THR . 14.2 mm-40 -54.84 -50.33 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.671 0.272 . . . . 0.0 111.295 -176.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 99.9 mtt180 -69.6 -27.42 65.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.97 -30.29 61.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.991 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.521 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 75.8 m -72.42 -45.11 61.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.766 0.317 . . . . 0.0 110.875 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 p -68.27 -32.95 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.068 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.708 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.62 -30.31 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.269 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.61 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.176 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.11 -43.66 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.505 ' HA ' HG22 ' A' ' 10' ' ' ILE . 84.7 m-85 -60.65 -41.02 94.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.4 -43.12 99.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 34' ' ' LEU . 6.5 tt -67.75 -44.5 77.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.567 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.0 tp -71.05 -33.02 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.291 -177.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 3.2 mtm180 -69.27 -33.38 73.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.37 -33.89 71.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.331 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.538 HG13 HD21 ' A' ' 40' ' ' LEU . 16.6 mm -60.83 -37.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.427 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 76.2 m-70 -72.9 -45.04 60.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.839 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -60.44 -32.66 71.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.845 -176.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -82.32 0.55 41.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.014 0.435 . . . . 0.0 111.401 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.93 -23.4 4.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.974 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.24 -13.93 7.88 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.906 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -133.87 145.66 49.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 24.6 tpt180 -132.99 121.43 22.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -100.33 111.1 23.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.335 0.588 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 28' ' ' GLN . 30.7 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.596 ' HG2' ' HG3' ' A' ' 32' ' ' GLU . 6.9 tt0 . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 111.278 0.103 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 27.4 ttpp -51.98 -53.04 56.02 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 23.7 Cg_endo -62.32 -31.52 81.67 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.801 1.668 . . . . 0.0 112.349 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.1 m-85 -70.44 -38.36 74.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 45.3 mt-10 -66.08 -29.36 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.577 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.04 -38.69 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.351 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD23 HD12 ' A' ' 37' ' ' LEU . 67.5 mt -66.75 -27.36 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 178.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 59.4 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.181 0.515 . . . . 0.0 110.173 174.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.38 -35.43 77.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.339 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 HD23 ' A' ' 34' ' ' LEU . 94.4 mt -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.706 175.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.05 12.9 62.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.255 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.409 ' CE3' HD22 ' A' ' 34' ' ' LEU . 41.4 m0 -85.73 -33.97 21.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.155 0.502 . . . . 0.0 110.195 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD21 HG13 ' A' ' 13' ' ' ILE . 39.6 mt -117.25 147.81 42.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.488 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -133.03 137.42 46.46 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.129 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.577 176.604 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 120.93 0.395 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -78.62 115.73 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.667 -178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.0 m-85 -101.42 137.9 39.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.841 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -123.63 143.62 50.12 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -60.92 144.69 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.975 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.28 -172.97 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.488 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.0 -52.25 64.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.23 -42.07 90.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.482 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.3 -35.25 91.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.266 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.433 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 30.9 m -73.88 -39.13 64.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.822 0.344 . . . . 0.0 110.401 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.402 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.9 69.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.48 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.411 HG22 ' OD2' ' A' ' 6' ' ' ASP . 10.4 t . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.99 -30.85 66.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.812 0.339 . . . . 0.0 111.282 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.521 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 42.8 m-20 -65.81 -27.83 68.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD2' HG22 ' A' ' 3' ' ' THR . 49.5 m-20 -72.6 -38.92 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.29 -36.45 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.856 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HD2' ' HA ' ' A' ' 5' ' ' ASP . 88.8 mttt -63.95 -47.59 79.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.377 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.17 -45.76 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.468 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.5 tp -70.73 -32.43 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -64.51 -37.64 88.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.451 0.644 . . . . 0.0 109.563 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.68 -30.71 70.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.901 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.474 HG12 ' HA ' ' A' ' 10' ' ' ILE . 29.1 mm -56.16 -39.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.684 173.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -73.17 -39.36 65.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -66.68 -22.97 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.167 0.508 . . . . 0.0 110.42 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -83.11 -3.52 57.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.672 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.57 1.93 15.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.76 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.17 -6.19 61.57 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.868 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -133.62 151.42 51.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.1 tpt180 -146.66 132.1 18.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 50' ' ' THR . 5.1 pt20 -115.36 129.59 56.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 110.631 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.938 -179.568 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.231 0.119 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 88.0 tttt -51.3 -56.11 23.15 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -175.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.8 Cg_endo -66.34 -27.6 47.55 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.785 1.657 . . . . 0.0 112.955 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.5 m-85 -70.26 -47.68 60.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -69.41 -23.66 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.324 0.583 . . . . 0.0 109.869 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.49 -42.86 86.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.361 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 55.9 mt -67.32 -24.27 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.842 178.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 57.9 t -64.37 -39.91 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.77 -39.9 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.165 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.11 -13.57 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.158 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.81 26.9 43.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.28 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.2 m0 -97.53 -33.21 11.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 13' ' ' ILE . 67.0 mt -121.06 153.25 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.922 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -138.15 136.46 36.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.107 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.649 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 18.2 m . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.733 0.302 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -92.04 116.07 28.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.16 143.83 29.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.554 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -122.62 143.12 49.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.859 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.9 pt -65.74 139.4 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 111.743 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -97.69 -177.0 3.64 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 2.0 pm0 -72.66 -38.18 67.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.467 175.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -69.2 -34.23 74.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.66 -31.96 79.78 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.038 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -72.97 -45.07 60.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 0.0 110.491 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -62.7 -39.11 92.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.69 81.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 178.408 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.717 0.294 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -78.68 154.51 30.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.408 HG22 ' OD2' ' A' ' 6' ' ' ASP . 11.2 t -97.99 173.84 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.137 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.15 -30.92 69.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.879 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.18 -30.31 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.378 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 72.3 m-20 -75.98 -34.78 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.185 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' HA ' HG22 ' A' ' 10' ' ' ILE . 55.9 m-85 -60.23 -38.48 83.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.202 0.525 . . . . 0.0 110.463 174.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.96 -31.43 72.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.554 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.32 -46.37 23.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.328 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.1 tp -67.91 -32.12 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -70.79 -31.68 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.78 -36.07 80.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.499 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 20' ' ' ARG . 12.0 mm -56.79 -39.78 66.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.961 178.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -73.34 -39.61 65.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.352 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 m -67.22 -17.53 64.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.102 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -95.69 6.22 49.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.525 0.679 . . . . 0.0 110.422 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.94 -16.84 18.04 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.236 175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 -30.85 4.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.306 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -106.9 149.66 27.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' HB2' HG23 ' A' ' 13' ' ' ILE . 5.8 tpt85 -143.16 111.7 6.32 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 50' ' ' THR . 16.8 pt20 -96.14 126.47 41.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.083 0.468 . . . . 0.0 110.886 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.46 131.59 72.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.94 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.558 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 86.9 m-85 -55.14 -57.79 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.579 0.549 . . . . 0.0 111.35 -176.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.43 -141.49 7.12 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.91 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 61.64 -163.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.693 0.29 . . . . 0.0 111.315 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.4 mtp-105 -63.74 -26.08 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.225 -177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.02 -34.15 75.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.995 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -80.59 -21.81 41.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.619 -175.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.7 mmmt -53.27 -53.68 53.41 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.561 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.0 Cg_endo -61.9 -25.39 78.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.712 1.608 . . . . 0.0 112.068 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -71.21 -48.5 51.04 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.604 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.6 pt-20 -72.51 -26.86 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.916 0.389 . . . . 0.0 110.641 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.82 -37.7 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.873 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.0 mt -66.75 -29.54 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.282 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 88.9 t -63.58 -42.82 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 0.0 109.742 173.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.21 -37.4 87.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.39 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 34' ' ' LEU . 92.5 mt -75.42 -19.67 59.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.306 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.96 14.9 44.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.94 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -91.3 -33.76 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.202 0.525 . . . . 0.0 110.454 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 47.6 mt -119.24 162.11 19.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.859 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -139.79 121.61 15.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.533 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.453 ' NH2' ' HB3' ' A' ' 32' ' ' GLU . 2.4 ptp180 -91.98 101.78 14.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.084 0.468 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.5 m -90.68 -71.8 0.61 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -80.87 91.14 5.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.188 0.518 . . . . 0.0 109.806 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' HA ' HG23 ' A' ' 50' ' ' THR . 34.9 t -92.08 87.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.89 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.24 157.31 16.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.428 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.5 m -75.02 -7.49 53.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.132 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -84.06 -73.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -140.45 125.93 18.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.138 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.534 HG23 ' HA ' ' A' ' 45' ' ' VAL . 28.7 m -75.13 126.97 32.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.106 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -88.82 117.06 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.637 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -102.17 137.56 40.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.039 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -123.14 144.23 49.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.852 0.358 . . . . 0.0 110.368 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.34 141.34 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.417 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.7 p -101.78 -169.58 1.7 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.489 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -75.28 -35.61 61.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.46 -43.25 97.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.682 173.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.46 -31.02 79.34 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.061 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -73.23 -41.63 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 110.495 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t -65.92 -35.15 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.91 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.43 -36.52 60.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.9 tp -71.67 -21.96 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.122 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -69.41 121.27 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.011 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.478 178.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.53 137.37 47.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.483 HG22 ' OD2' ' A' ' 6' ' ' ASP . 14.1 t -99.18 174.65 6.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.98 71.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 111.564 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.23 -38.72 90.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.779 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.483 ' OD2' HG22 ' A' ' 3' ' ' THR . 68.0 m-20 -66.32 -36.44 82.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.354 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -63.53 -35.86 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.04 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -73.32 -36.05 66.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.331 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.11 -45.61 84.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.559 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 tp -67.63 -28.93 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.017 0.437 . . . . 0.0 110.596 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -71.26 -37.26 71.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.35 -34.32 70.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.785 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.552 HG13 HD21 ' A' ' 40' ' ' LEU . 17.0 mm -56.17 -41.85 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.304 0.574 . . . . 0.0 109.971 177.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.9 m-70 -69.15 -38.72 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.053 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.7 m -65.45 -22.51 66.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.18 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 20' ' ' ARG . 6.1 m -93.36 14.36 18.68 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.557 0.694 . . . . 0.0 110.535 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.47 8.88 42.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.658 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.55 -1.54 69.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.983 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.563 ' HD2' ' HB3' ' A' ' 51' ' ' HIS . 44.5 ttp180 -146.68 130.75 17.31 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HD2' HG21 ' A' ' 16' ' ' THR . 13.7 tpt180 -119.72 121.28 38.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.698 0.285 . . . . 0.0 110.723 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' THR . 4.3 pt20 -93.15 111.86 23.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.227 0.537 . . . . 0.0 110.704 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -115.45 135.85 54.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.078 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -73.6 163.85 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.587 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.22 85.67 0.81 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.13 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.6 m -150.89 -174.04 4.67 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -58.27 -27.18 63.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 111.152 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -57.94 -31.91 67.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.531 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -80.36 -21.28 42.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.675 -172.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.7 mtmp? -54.05 -51.53 76.47 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -174.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 16.4 Cg_endo -58.93 -35.68 98.17 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.977 1.784 . . . . 0.0 112.281 176.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -66.65 -38.04 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.56 -27.05 65.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.135 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.65 -37.63 62.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.877 0.37 . . . . 0.0 110.396 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 65.7 mt -63.93 -27.28 69.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.333 177.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.32 -41.98 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.236 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.01 -32.63 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.607 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 HD23 ' A' ' 34' ' ' LEU . 92.0 mt -73.06 -23.4 60.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.574 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.11 31.85 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.251 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 37.0 m0 -94.84 -34.0 12.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.081 0.467 . . . . 0.0 110.212 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.552 HD21 HG13 ' A' ' 13' ' ' ILE . 45.0 mt -119.99 150.14 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.452 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -137.18 117.64 13.76 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.185 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.4 ptt180 -87.07 119.17 27.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.479 0.657 . . . . 0.0 111.91 -175.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 m -133.13 -179.91 5.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.746 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m 66.58 -76.81 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.274 0.63 . . . . 0.0 111.792 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.403 HG22 HG23 ' A' ' 50' ' ' THR . 53.6 t 62.47 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.356 0.663 . . . . 0.0 111.709 -178.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -106.5 98.66 8.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.733 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m 61.28 -93.44 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.375 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 5.5 mpt_? -109.85 -13.42 14.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.665 0.269 . . . . 0.0 110.838 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.86 114.22 26.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.117 0.484 . . . . 0.0 110.763 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 24.8 m -92.61 125.28 37.17 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.999 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.563 ' HB3' ' HD2' ' A' ' 19' ' ' ARG . 56.0 m-70 -90.88 115.42 27.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.674 0.274 . . . . 0.0 110.536 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.448 ' HB3' HD22 ' A' ' 40' ' ' LEU . 87.0 m-85 -95.1 118.44 31.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.397 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' A' ' 19' ' ' ARG . 11.3 tp60 -94.69 142.86 26.96 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.615 -178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.9 pt -68.86 135.09 29.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.716 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 p -95.13 179.78 5.08 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.04 -38.64 88.9 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.53 -44.56 93.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.921 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.28 -28.34 70.72 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.247 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.606 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.0 m -71.96 -44.49 63.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 0.0 110.232 176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 32.4 t -68.24 -41.93 80.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.664 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.07 70.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.733 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.79 -23.28 60.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.082 0.468 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.3 tp -88.49 -4.96 58.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.413 0.625 . . . . 0.0 109.933 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.566 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -108.25 120.22 41.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.235 -178.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.666 -0.683 . . . . 0.0 109.98 178.475 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tmm? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -87.21 111.17 20.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.784 0.326 . . . . 0.0 111.654 -174.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 5' ' ' ASP . 15.0 t -104.74 -178.88 3.78 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 175.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.73 -36.24 46.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.581 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.5 ' H ' HG23 ' A' ' 3' ' ' THR . 1.8 m-20 -62.0 -37.32 84.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.047 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.486 ' OD1' HG22 ' A' ' 3' ' ' THR . 5.5 m-20 -70.03 -36.15 74.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.431 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' HA ' HG22 ' A' ' 10' ' ' ILE . 65.9 m-85 -61.08 -38.54 86.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.241 0.543 . . . . 0.0 110.495 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -70.94 -34.43 71.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.979 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD21 ' CE2' ' A' ' 31' ' ' PHE . 10.1 tt -73.81 -43.44 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.665 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -68.1 -26.61 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -68.07 -38.9 82.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -58.16 -37.13 74.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.632 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.535 HG13 HD21 ' A' ' 40' ' ' LEU . 12.4 mm -57.05 -39.48 66.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.177 0.513 . . . . 0.0 110.179 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 88.0 m-70 -73.84 -40.19 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.073 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.7 m -60.09 -35.36 75.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.967 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -77.85 -2.11 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.315 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.65 9.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.999 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.67 -16.86 60.29 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.931 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 19' ' ' ARG . 5.8 mpt_? -125.43 144.74 50.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -136.39 114.29 11.29 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -89.23 128.8 35.86 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 28' ' ' GLN . 48.1 t -124.96 131.28 72.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 82.4 m-85 -69.31 147.41 51.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.261 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.58 81.37 0.22 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.963 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 m -149.48 -169.52 3.4 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.776 0.431 . . . . 0.0 109.871 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -57.69 -32.63 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.14 -25.64 68.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.587 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.521 ' HA ' HG11 ' A' ' 22' ' ' VAL . 35.5 tt0 -75.83 -21.29 57.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.348 -176.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -49.03 -54.05 32.33 Favored Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 31.1 Cg_endo -64.1 -33.58 61.05 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.728 1.619 . . . . 0.0 112.474 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 35' ' ' VAL . 88.3 m-85 -66.26 -42.17 88.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.95 -35.33 79.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.045 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.28 -40.48 77.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.568 HD23 HD12 ' A' ' 37' ' ' LEU . 77.6 mt -64.53 -26.82 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 178.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -61.74 -47.85 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.438 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.42 -37.0 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.49 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 HD23 ' A' ' 34' ' ' LEU . 95.0 mt -68.61 -19.19 64.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.517 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 91.64 14.47 56.77 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.549 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.449 ' CD1' ' HB3' ' A' ' 57' ' ' ARG . 34.7 m0 -90.25 -33.84 16.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.451 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.535 HD21 HG13 ' A' ' 13' ' ' ILE . 61.7 mt -118.58 154.73 32.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.128 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -134.15 138.1 44.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.162 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 17.7 mtp180 -86.33 101.48 13.13 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.9 m -91.34 -38.68 12.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.679 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -152.01 147.64 26.76 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 m -123.78 132.48 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.409 0.623 . . . . 0.0 111.826 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.518 ' HB2' ' HB3' ' A' ' 49' ' ' ALA . 73.9 m-20 -113.14 167.11 10.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 173.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 m -52.15 103.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.26 0.35 . . . . 0.0 111.291 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.532 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 23.6 mmt180 67.54 18.06 9.99 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.313 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -136.33 115.12 12.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.017 0.437 . . . . 0.0 110.846 178.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.1 m -103.96 127.33 51.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.817 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -86.2 115.24 23.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.35 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.22 128.12 50.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -114.9 146.65 40.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.445 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -62.53 138.15 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.676 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.4 p -105.5 -171.57 1.93 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.927 175.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.92 -46.56 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 172.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 18.9 mmm180 -62.7 -40.2 96.38 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.4 -36.61 93.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.182 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.522 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 86.6 m -71.06 -44.57 65.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.348 176.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -62.34 -39.13 92.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 111.098 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.46 -29.61 59.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.0 tp -81.82 -6.72 59.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.057 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -73.63 95.47 2.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.382 0.61 . . . . 0.0 110.74 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.249 1.069 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.19 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 121.102 0.477 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.99 133.9 33.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.844 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.8 t -102.88 -179.7 4.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.809 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.26 68.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 111.226 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.405 ' H ' HG23 ' A' ' 3' ' ' THR . 1.4 m-20 -64.02 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -70.92 -39.13 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -60.62 -38.63 85.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.306 0.574 . . . . 0.0 110.429 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -68.32 -34.82 76.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 34' ' ' LEU . 8.9 tt -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.445 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 HG13 ' A' ' 13' ' ' ILE . 10.6 tp -67.15 -27.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.88 0.372 . . . . 0.0 110.551 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -69.72 -38.27 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -56.97 -38.21 72.67 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.623 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.617 HG13 HD21 ' A' ' 40' ' ' LEU . 13.8 mm -57.13 -39.76 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.533 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 96.3 m-70 -72.19 -43.34 64.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.089 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -63.54 -21.96 66.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.383 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.5 m -81.34 -7.03 59.51 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.27 0.557 . . . . 0.0 110.646 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.24 4.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.753 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.7 -21.05 45.47 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.095 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.3 146.07 44.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.928 0.394 . . . . 0.0 110.106 177.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 tpt85 -127.0 123.65 37.59 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.649 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' THR . 17.8 pt20 -107.98 111.35 23.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.724 0.773 . . . . 0.0 110.786 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t -106.27 133.81 49.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.688 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -74.74 -46.49 36.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.232 0.539 . . . . 0.0 110.612 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.12 -116.25 0.7 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.257 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.9 p 50.26 -162.18 0.06 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.259 0.624 . . . . 0.0 110.848 -175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -78.47 -15.62 58.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.064 -0.398 . . . . 0.0 110.453 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.19 -36.88 85.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.559 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -72.33 -21.99 61.24 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -51.55 -55.75 26.73 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.48 -28.21 77.62 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 121.862 1.708 . . . . 0.0 112.844 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.8 m-85 -65.4 -40.79 93.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 0.0 110.367 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.65 -23.49 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.231 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.72 -40.97 69.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.402 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.595 HD22 HD22 ' A' ' 9' ' ' LEU . 10.9 mp -69.45 -23.8 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.128 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.536 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 98.5 t -63.36 -42.97 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 109.889 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.52 -40.5 97.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.715 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.9 -22.86 65.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.233 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.54 23.87 22.71 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.183 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -97.38 -35.21 10.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.241 0.543 . . . . 0.0 109.697 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.617 HD21 HG13 ' A' ' 13' ' ' ILE . 64.7 mt -119.8 148.86 42.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -137.27 125.35 22.93 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.694 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -96.14 111.46 23.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.194 0.521 . . . . 0.0 110.845 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p -115.43 -59.53 1.99 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.036 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -88.66 123.87 33.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -130.76 112.98 23.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.075 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -127.56 126.63 42.49 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 2.5 p 39.01 76.15 0.06 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.055 0.847 . . . . 0.0 112.382 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 47' ' ' SER . 6.7 ptp180 62.29 -23.8 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.661 1.584 . . . . 0.0 113.974 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 47' ' ' SER . . . -75.73 114.79 14.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.274 0.559 . . . . 0.0 110.746 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 31.7 m -97.41 119.83 36.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.32 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -87.61 118.91 27.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.651 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 40' ' ' LEU . 97.3 m-85 -99.73 119.91 38.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.236 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.491 HE21 HG12 ' A' ' 54' ' ' ILE . 31.6 tp60 -96.2 133.14 40.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.117 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.491 HG12 HE21 ' A' ' 53' ' ' GLN . 34.5 pt -61.46 132.82 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.441 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 p -93.21 -176.33 4.12 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.057 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.5 -41.59 98.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.66 -47.71 74.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.672 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.32 -31.54 77.57 Favored Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.728 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.599 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.3 m -73.04 -39.74 65.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.965 0.412 . . . . 0.0 110.315 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.624 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 46.0 t -71.24 -46.51 60.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.861 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . . . -58.07 -40.93 82.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.906 0.384 . . . . 0.0 111.833 -174.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.84 65.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.165 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.9 tp -95.91 -4.92 42.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.573 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HG3' ' O ' ' A' ' 60' ' ' SER . 98.0 mtt180 -82.38 74.25 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.045 0.45 . . . . 0.0 110.427 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.505 -0.76 . . . . 0.0 110.015 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 ttp . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.764 0.316 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.98 134.58 54.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.35 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.7 t -119.86 -179.82 4.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.245 -178.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -59.34 -30.1 68.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.706 0.289 . . . . 0.0 111.479 -177.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.447 ' H ' HG23 ' A' ' 3' ' ' THR . 13.9 t70 -59.54 -40.51 87.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -68.63 -35.21 76.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' ILE . 53.8 m-85 -62.36 -36.79 83.34 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.81 174.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 86.8 mttt -61.26 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.247 0.546 . . . . 0.0 109.816 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.503 HD22 HD12 ' A' ' 34' ' ' LEU . 6.7 tt -66.31 -48.82 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.429 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.6 -29.2 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 ttt180 -64.99 -43.34 92.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.111 0.481 . . . . 0.0 109.778 175.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.76 -36.24 69.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.246 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.622 HG13 HD21 ' A' ' 40' ' ' LEU . 11.8 mm -60.41 -38.73 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.573 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.406 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.5 m-70 -74.48 -33.83 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.196 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 t -62.11 -30.47 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.652 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 p -87.99 11.05 16.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.671 0.272 . . . . 0.0 111.558 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.62 37.42 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.957 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.25 -1.8 26.73 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.703 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -135.05 134.97 40.92 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -137.77 119.67 15.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.44 -176.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -97.1 131.43 43.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.739 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 24' ' ' GLY . 44.4 t -127.16 131.24 70.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.98 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -80.66 -14.47 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 111.483 -177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.612 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 137.72 -142.97 13.91 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.358 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.6 m 70.92 -172.06 0.16 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.108 0.563 . . . . 0.0 111.07 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' CD ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -57.65 -36.08 71.38 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.763 -176.105 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 40.9 mp0 -61.76 -33.3 73.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.836 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 36.8 tt0 -75.48 -22.61 57.09 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.805 -174.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 78.3 mttt -59.21 -53.0 70.61 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 19.3 Cg_endo -60.99 -26.9 83.95 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.548 1.499 . . . . 0.0 112.261 176.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.0 m-85 -63.6 -44.97 92.44 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.925 0.393 . . . . 0.0 110.087 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.65 -32.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.144 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.53 -39.16 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.419 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 9' ' ' LEU . 56.0 mt -68.96 -23.74 64.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' PHE . 57.9 t -66.69 -39.58 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.77 -35.5 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.229 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD12 HD23 ' A' ' 34' ' ' LEU . 92.2 mt -75.24 -17.82 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.902 176.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.487 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 85.89 20.88 54.82 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.483 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 31.8 m0 -90.45 -36.05 14.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.622 HD21 HG13 ' A' ' 13' ' ' ILE . 38.8 mt -114.15 148.39 37.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -134.22 105.08 6.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.839 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -85.22 102.12 13.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.241 0.543 . . . . 0.0 110.156 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -112.26 5.82 18.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.245 -176.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.5 m -151.75 96.01 2.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 111.479 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.57 HG22 HG23 ' A' ' 50' ' ' THR . 42.5 t -93.62 94.51 4.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 171.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' C ' ' HG ' ' A' ' 47' ' ' SER . 10.2 t70 -91.65 106.11 18.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.752 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.405 ' HG ' ' C ' ' A' ' 46' ' ' ASP . 83.1 p 58.38 -76.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.482 1.113 . . . . 0.0 111.734 -174.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -132.15 -28.1 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.933 0.397 . . . . 0.0 110.403 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.46 114.84 11.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.344 0.592 . . . . 0.0 110.397 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.57 HG23 HG22 ' A' ' 45' ' ' VAL . 20.2 m -91.51 113.95 26.35 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.019 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -88.87 115.97 26.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HB3' HD22 ' A' ' 40' ' ' LEU . 96.8 m-85 -99.73 125.27 45.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.418 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -106.08 142.47 35.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.076 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.98 137.99 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.528 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.4 p -96.54 177.38 5.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.31 -38.83 88.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.236 0.541 . . . . 0.0 109.724 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 37.8 ttm180 -68.58 -42.43 78.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.212 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.0 -28.51 72.19 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.0 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.406 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 56.3 m -73.43 -44.81 57.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.807 0.337 . . . . 0.0 110.331 175.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 t -62.24 -39.68 93.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.11 -45.39 88.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.83 -23.43 61.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.194 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.3 tp -74.84 -1.02 20.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.501 0.667 . . . . 0.0 110.25 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -98.22 1.46 47.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.048 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.133 178.867 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.786 0.326 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.468 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -96.71 150.37 20.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.146 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 5' ' ' ASP . 14.7 t -102.67 179.39 4.3 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.817 -175.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.3 70.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 3' ' ' THR . 10.3 m-20 -60.09 -40.4 89.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.53 -41.63 84.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.217 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -61.47 -35.39 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.531 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.23 -40.24 52.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.823 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.59 -41.6 83.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.44 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' A' ' 62' ' ' ALA . 10.7 tp -66.5 -28.58 43.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.135 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 3.6 tmt_? -68.96 -37.98 79.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.04 -35.85 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.099 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.556 HG13 HD21 ' A' ' 40' ' ' LEU . 19.0 mm -57.52 -41.27 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.155 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 79.5 m-70 -71.15 -38.14 72.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.082 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 m -62.12 -26.43 68.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -86.6 -0.23 55.77 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 0.0 110.844 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.5 16.21 11.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.532 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.55 0.68 90.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.266 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 19' ' ' ARG . 31.1 ttt180 -144.13 124.24 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -128.0 123.34 34.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.689 0.28 . . . . 0.0 110.391 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.51 130.82 49.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 0.0 110.878 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -127.01 138.55 54.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.311 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 85.5 m-85 -73.08 -54.86 7.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.1 0.476 . . . . 0.0 110.443 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.49 -130.3 2.13 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.894 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.9 m 59.2 -159.23 0.3 Allowed 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.744 0.32 . . . . 0.0 110.607 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -73.34 -20.55 60.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.37 . . . . 0.0 110.88 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.01 -28.71 67.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.649 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -80.28 -22.41 41.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.682 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 38.7 ttpt -51.21 -53.63 46.8 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -175.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 27.0 Cg_endo -62.76 -28.1 75.97 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.796 1.664 . . . . 0.0 112.636 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.0 m-85 -71.5 -41.8 68.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.262 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.66 -34.33 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.749 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.96 -40.36 91.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.644 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD23 HD12 ' A' ' 37' ' ' LEU . 77.2 mt -66.8 -30.68 70.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.684 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' PHE . 73.3 t -65.23 -38.38 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.538 . . . . 0.0 109.905 174.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.61 -35.22 77.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.281 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 2' ' ' ALA . 95.6 mt -76.17 -20.81 57.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.415 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' HA3' ' NH1' ' A' ' 57' ' ' ARG . . . 92.12 15.97 52.17 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.637 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -89.68 -31.94 17.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.658 . . . . 0.0 109.644 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD21 HG13 ' A' ' 13' ' ' ILE . 35.1 mt -118.3 155.8 29.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.461 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -146.99 132.68 18.87 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -85.13 101.63 12.61 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.419 0.628 . . . . 0.0 109.79 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.3 p -85.34 -13.59 49.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.91 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 51' ' ' HIS . 12.0 m -145.17 102.62 3.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.025 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.88 98.44 8.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.77 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -100.44 165.46 11.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.281 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.5 m -49.47 106.39 0.11 Allowed 'General case' 0 C--O 1.236 0.395 0 O-C-N 123.383 0.427 . . . . 0.0 110.958 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 67.57 -65.72 0.23 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.555 -174.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -59.87 113.65 2.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.499 0.666 . . . . 0.0 111.115 -177.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.0 m -106.78 125.36 50.91 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.412 -176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 66.2 m-70 -94.71 115.2 27.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.367 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HB3' HD22 ' A' ' 40' ' ' LEU . 86.2 m-85 -99.9 138.01 37.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.22 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -120.93 148.57 43.9 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 pt -64.56 133.28 30.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.506 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.0 p -97.74 -173.5 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.25 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -59.46 -50.45 73.9 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.464 ' NH1' ' HA3' ' A' ' 38' ' ' GLY . 83.2 mtt180 -65.77 -41.2 92.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.49 -30.21 76.12 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.487 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.58 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 89.9 m -73.34 -41.8 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.933 0.397 . . . . 0.0 110.173 175.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.4 t -64.16 -51.23 64.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.975 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.66 88.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.566 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . -73.55 -23.12 59.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.846 -175.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.1 tp -70.17 -22.77 62.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.44 . . . . 0.0 110.598 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 64' ' ' ARG . 20.3 mtm180 -91.47 1.09 57.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.992 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.021 176.421 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 121.052 0.453 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.83 146.44 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -119.94 179.89 4.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.786 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.74 -30.9 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.269 . . . . 0.0 111.185 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -60.24 -37.5 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -70.12 -44.03 69.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' HA ' HG22 ' A' ' 10' ' ' ILE . 82.7 m-85 -60.71 -41.31 94.98 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.201 0.524 . . . . 0.0 110.596 176.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.43 -36.03 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.015 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -77.79 -44.57 27.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -68.34 -32.46 55.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.461 -175.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -71.08 -30.37 66.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 109.82 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.313 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 mm -57.26 -42.84 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.932 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.61 -40.54 76.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.978 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -61.56 -30.21 70.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.802 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -75.64 -15.11 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.594 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.25 -13.07 5.47 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.227 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.32 -1.35 26.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.545 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -145.91 131.78 19.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -130.76 119.89 22.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.441 -176.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -105.54 115.89 31.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.216 0.532 . . . . 0.0 110.632 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t -96.47 131.53 43.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.691 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 93.8 m-85 -85.49 20.26 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -172.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 25' ' ' SER . . . 89.59 118.85 1.79 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.289 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 23.2 t 173.17 177.93 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.738 ' HD2' ' H ' ' A' ' 26' ' ' ARG . 1.8 mpt_? -70.1 -17.56 63.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.11 -26.74 68.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.777 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 9.2 tt0 -79.73 -21.0 45.09 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 61.6 tttm -52.84 -53.26 56.64 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 14.3 Cg_endo -58.48 -27.28 81.52 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.823 1.682 . . . . 0.0 112.519 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 40.3 m-85 -69.78 -48.67 58.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.689 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.31 -25.71 61.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.061 0.458 . . . . 0.0 110.131 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -40.74 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.325 172.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 59.9 mt -67.73 -27.74 67.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.662 177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.92 -41.48 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.013 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.13 -37.3 86.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.135 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 34' ' ' LEU . 93.3 mt -74.45 -17.42 60.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.927 176.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 89.54 15.52 58.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.522 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.4 m0 -88.53 -34.03 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.145 0.498 . . . . 0.0 110.584 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 40' ' ' LEU . 35.8 mt -118.66 158.03 26.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.002 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -131.84 143.95 50.54 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.241 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -82.89 105.52 13.96 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.515 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . 4.9 t -83.98 -39.3 19.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.297 -172.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 p -161.03 117.43 2.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.121 178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.683 HG12 HG23 ' A' ' 50' ' ' THR . 19.1 m -93.24 140.38 16.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.164 0.507 . . . . 0.0 111.158 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.723 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 7.9 t70 -128.18 163.25 25.1 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.614 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.6 m -54.62 -30.26 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.385 0.428 . . . . 0.0 111.518 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -121.79 -52.2 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.023 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.723 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . -99.84 114.48 27.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.008 0.433 . . . . 0.0 112.051 -174.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.683 HG23 HG12 ' A' ' 45' ' ' VAL . 89.7 m -92.83 118.45 31.12 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -88.97 115.43 26.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.733 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -100.78 135.88 41.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.4 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 6.7 tt0 -110.23 142.78 41.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.068 -178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -67.84 146.52 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.969 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -112.89 -173.88 2.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.287 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.62 -48.36 75.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 97.1 mtt180 -60.88 -39.56 89.68 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.684 176.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.57 -33.41 86.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.212 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -73.4 -45.95 51.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.055 0.455 . . . . 0.0 110.305 176.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 t -65.99 -30.86 71.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.052 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.34 -48.17 51.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.66 178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.65 75.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.576 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.67 -29.65 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.215 0.531 . . . . 0.0 110.077 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -94.17 78.0 4.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.649 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.594 178.463 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtt . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.001 0.429 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.94 164.28 20.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.283 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.7 t -99.15 171.75 7.81 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.93 -30.03 69.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.78 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.79 -37.79 88.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.708 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.426 ' HB3' HD21 ' A' ' 34' ' ' LEU . 71.5 m-20 -67.44 -41.99 83.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.186 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' HA ' HG22 ' A' ' 10' ' ' ILE . 78.9 m-85 -62.18 -40.55 96.42 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.101 0.477 . . . . 0.0 110.552 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -61.62 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.416 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 30' ' ' PRO . 9.1 tt -68.12 -47.76 67.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.015 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.6 tp -65.44 -29.28 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 110.465 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -70.88 -35.65 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 31.7 t70 -60.14 -35.17 74.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.906 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.574 HG13 HD21 ' A' ' 40' ' ' LEU . 13.0 mm -59.5 -37.46 70.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 178.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.4 m-70 -74.32 -37.55 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.377 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -67.01 -26.69 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.503 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 p -88.89 6.18 40.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.731 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 -0.22 24.43 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.128 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.8 -14.23 60.4 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.901 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -131.24 131.16 43.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.3 tpt180 -131.31 121.9 25.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -97.22 127.14 42.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.075 0.464 . . . . 0.0 110.139 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -126.43 136.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.247 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.614 ' HA ' ' O ' ' A' ' 48' ' ' ARG . 95.8 m-85 -86.17 142.96 28.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.639 ' HA2' ' OE1' ' A' ' 28' ' ' GLN . . . -50.21 109.47 0.68 Allowed Glycine 0 C--N 1.331 0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.606 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.2 p -166.36 -179.37 4.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -62.31 -28.14 69.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.493 0.663 . . . . 0.0 109.851 174.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.65 -26.13 63.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.81 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.639 ' OE1' ' HA2' ' A' ' 24' ' ' GLY . 55.4 tt0 -78.4 -20.82 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.494 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -49.43 -53.94 35.24 Favored Pre-proline 0 CA--C 1.544 0.749 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 18.2 Cg_endo -60.34 -31.05 92.3 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.987 1.791 . . . . 0.0 112.622 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 9' ' ' LEU . 86.2 m-85 -66.8 -49.08 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.7 -33.47 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.586 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.5 -42.85 86.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.804 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.2 mt -66.35 -24.25 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 31' ' ' PHE . 94.2 t -62.71 -38.84 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.974 0.416 . . . . 0.0 110.338 175.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.52 -36.22 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.481 HD12 HD23 ' A' ' 34' ' ' LEU . 95.6 mt -69.3 -17.53 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.684 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.81 16.71 57.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.171 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.8 m0 -89.37 -33.38 16.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.305 0.574 . . . . 0.0 109.946 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 13' ' ' ILE . 49.7 mt -118.71 150.45 39.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.768 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -129.87 125.95 36.82 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.34 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HD2' HG21 ' A' ' 50' ' ' THR . 36.5 mtm180 -84.03 102.7 12.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.9 p -83.09 -27.69 30.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.645 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.6 t -169.08 126.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.642 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.576 HG22 HG23 ' A' ' 50' ' ' THR . 22.7 t -101.39 88.68 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.197 0.522 . . . . 0.0 109.687 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -102.18 121.92 43.17 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.678 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t 62.02 -142.45 0.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.614 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 32.2 ttp-105 -86.42 1.12 52.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.889 0.376 . . . . 0.0 110.398 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . . . -102.32 115.9 31.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.351 0.596 . . . . 0.0 111.671 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.576 HG23 HG22 ' A' ' 45' ' ' VAL . 63.4 m -93.92 126.97 39.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.041 176.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -88.16 121.19 30.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.68 0.276 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 40' ' ' LEU . 93.5 m-85 -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.524 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -110.57 137.62 48.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.817 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.8 pt -64.93 135.02 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.24 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 p -101.41 -178.81 3.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.353 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -39.33 93.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -68.05 -42.78 79.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.242 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.19 -30.16 77.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.503 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 44.0 m -73.51 -44.93 56.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.026 0.441 . . . . 0.0 110.448 175.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t -65.79 -40.9 92.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.13 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.26 89.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.72 -36.74 81.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.24 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -71.91 -65.69 0.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.826 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.251 1.142 0 O-C-N 123.656 0.597 . . . . 0.0 111.646 -176.305 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.3 128.14 34.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.792 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 t -112.95 179.54 3.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.155 174.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -55.06 -33.7 62.96 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.564 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 12.5 t70 -68.91 -32.17 71.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.896 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -69.77 -37.28 76.33 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.002 0.429 . . . . 0.0 110.049 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' HA ' HG22 ' A' ' 10' ' ' ILE . 62.7 m-85 -60.52 -36.79 79.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.11 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' A' ' 5' ' ' ASP . 76.3 mttt -59.18 -49.91 76.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.443 0.64 . . . . 0.0 109.622 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.59 -46.77 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.946 -174.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.5 tp -66.53 -31.81 55.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.976 -177.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -72.1 -35.31 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.197 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.9 -38.22 72.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.6 HG13 HD21 ' A' ' 40' ' ' LEU . 13.3 mm -55.39 -39.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.916 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -69.25 -48.82 60.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.245 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.8 t -63.18 -30.17 71.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.208 -177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.3 m -72.94 -18.44 61.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.024 0.44 . . . . 0.0 110.968 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.54 22.04 1.53 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.35 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.2 -32.02 6.83 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.338 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -129.37 141.13 51.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.025 0.44 . . . . 0.0 110.442 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -125.71 121.57 33.81 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.99 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.67 131.9 41.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.103 0.477 . . . . 0.0 110.537 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t -121.24 116.45 49.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.024 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -96.45 -1.6 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.851 0.357 . . . . 0.0 110.665 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 28' ' ' GLN . . . -100.76 171.42 22.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.67 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t -105.68 -53.04 2.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.855 0.327 . . . . 0.0 110.878 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -68.35 -28.38 67.08 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.164 0.507 . . . . 0.0 110.09 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.14 -32.16 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.693 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 28.1 tt0 -81.47 -22.23 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.779 -1.101 . . . . 0.0 112.094 -171.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 60.2 tttp -51.13 -51.94 63.28 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 19.2 Cg_endo -60.57 -30.44 90.62 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.942 1.762 . . . . 0.0 112.217 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 35' ' ' VAL . 65.2 m-85 -68.36 -42.91 78.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.905 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.95 -32.75 74.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.713 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.1 -33.47 70.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.29 -26.76 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.641 176.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 31' ' ' PHE . 67.5 t -64.36 -37.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.214 0.531 . . . . 0.0 109.751 173.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.55 -35.25 75.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.519 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.94 -25.5 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.741 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.01 18.93 41.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.904 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -87.8 -34.26 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.265 0.555 . . . . 0.0 109.822 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.6 HD21 HG13 ' A' ' 13' ' ' ILE . 42.1 mt -116.75 149.4 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.029 177.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -136.35 134.73 38.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.092 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 42' ' ' ARG . 13.5 mtm-85 -74.25 104.97 5.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.319 178.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 p -79.39 -36.43 39.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -175.72 151.56 1.17 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.964 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 50' ' ' THR . 41.4 t -105.67 98.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 172.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -115.28 126.2 54.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.612 -175.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.661 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 32.4 p 46.02 62.09 2.4 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.56 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 47' ' ' SER . 19.3 ptt180 64.6 -12.84 0.11 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.15 1.38 . . . . 0.0 113.013 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 47' ' ' SER . . . -95.27 115.45 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 0.0 110.89 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 45' ' ' VAL . 23.8 m -83.67 121.83 27.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.837 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -88.28 117.67 27.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.361 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' HB3' HD22 ' A' ' 40' ' ' LEU . 97.1 m-85 -105.76 116.66 32.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 174.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -105.72 147.19 28.84 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.786 0.327 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -58.61 142.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.523 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 p -107.47 -176.41 3.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.806 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.41 -34.93 76.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.286 0.565 . . . . 0.0 110.071 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.87 -40.39 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.63 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.68 -31.04 78.65 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.032 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 58.3 m -72.74 -43.99 62.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.984 0.421 . . . . 0.0 110.38 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.7 t -65.15 -35.71 81.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.72 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.25 -32.64 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.63 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.13 60.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.021 0.438 . . . . 0.0 110.969 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.0 tp -77.04 -29.02 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.142 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -64.25 102.9 0.56 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.761 178.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.812 178.425 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.98 159.33 31.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.44 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.3 t -109.0 -179.85 3.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.59 -31.99 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.867 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -30.6 68.44 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.601 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.7 -40.48 92.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -61.79 -37.84 85.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.404 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -70.76 -43.23 69.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.701 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.91 -44.24 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.677 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -69.23 -30.06 44.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -70.76 -35.48 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -37.3 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.818 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.477 HG13 HD21 ' A' ' 40' ' ' LEU . 17.7 mm -56.81 -41.18 75.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.093 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.717 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 86.5 m-70 -68.78 -42.93 76.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.6 m -65.79 -25.43 67.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 m -77.75 -12.11 59.94 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.219 0.533 . . . . 0.0 110.52 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.06 0.14 8.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.776 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.58 -11.89 53.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.637 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -131.21 137.34 48.89 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -132.16 114.87 15.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.79 0.328 . . . . 0.0 110.563 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -89.43 119.55 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.058 0.456 . . . . 0.0 110.019 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.0 t -123.97 135.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.948 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 94.2 m-85 -74.77 147.03 41.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.89 94.68 0.1 OUTLIER Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.018 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.3 p -161.43 -171.2 2.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.543 0.211 . . . . 0.0 110.543 -174.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HD2' ' N ' ' A' ' 27' ' ' GLU . 4.3 ppt_? -57.12 -25.27 58.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.308 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.553 ' N ' ' HD2' ' A' ' 26' ' ' ARG . 32.8 tt0 -75.6 -30.0 59.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.813 -178.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -80.13 -20.68 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.413 . . . . 0.0 110.59 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 14.5 tmtt? -50.61 -54.8 31.89 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.377 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.12 -22.63 54.14 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 121.724 1.616 . . . . 0.0 112.985 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -76.67 -40.12 49.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.525 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 2.0 pp20? -69.81 -25.59 63.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.247 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.79 -39.91 87.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.703 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 68.7 mt -65.36 -27.29 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.631 178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 48.5 t -63.66 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.018 174.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.25 -38.47 86.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.242 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -78.4 -12.55 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.634 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.81 19.41 57.97 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.456 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 26.2 m0 -91.01 -37.18 13.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 52.7 mt -121.78 157.5 30.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.606 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -146.39 118.88 8.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.441 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' HD2' HG21 ' A' ' 50' ' ' THR . 29.0 ptt180 -93.2 147.89 22.5 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.141 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -144.73 -61.38 0.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 110.971 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.7 m -92.43 150.85 20.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.844 0.354 . . . . 0.0 111.323 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 50' ' ' THR . 20.9 m -135.16 136.81 51.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.766 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.34 125.49 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.651 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 t 65.24 -80.04 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.779 0.674 . . . . 0.0 110.951 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 12.7 ttp180 -151.75 10.06 0.54 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.766 0.793 . . . . 0.0 108.98 176.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -106.47 117.9 35.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.833 -177.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.483 HG21 ' HD2' ' A' ' 42' ' ' ARG . 11.9 m -84.86 131.61 34.5 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.85 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -87.32 115.95 25.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.738 0.304 . . . . 0.0 110.642 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -98.09 125.55 43.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -102.29 138.84 38.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.1 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 pt -59.28 126.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.1 0.476 . . . . 0.0 110.943 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -102.61 178.35 4.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 55' ' ' THR . 8.4 pt-20 -51.56 -52.29 48.44 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.516 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 84.9 mtt180 -71.39 -27.54 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.773 0.321 . . . . 0.0 110.445 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.35 -35.93 77.34 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.028 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.717 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 48.3 m -70.68 -38.12 73.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.994 0.426 . . . . 0.0 110.222 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.1 t -68.48 -39.01 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.921 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.98 74.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.578 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.63 59.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.272 0.558 . . . . 0.0 110.479 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 tp -94.76 -2.48 50.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.913 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -86.42 83.23 7.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.833 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.251 1.17 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.12 178.155 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.795 0.331 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.03 137.46 50.02 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 5' ' ' ASP . 13.3 t -99.13 178.63 4.86 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.367 -0.379 . . . . 0.0 109.999 -178.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.09 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 111.332 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.401 ' H ' HG23 ' A' ' 3' ' ' THR . 22.1 t70 -62.24 -38.73 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.946 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -69.97 -46.26 65.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.333 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -59.5 -38.06 79.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.233 0.54 . . . . 0.0 110.674 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -66.33 -41.62 89.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.54 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 30' ' ' PRO . 8.6 tt -68.84 -45.28 71.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.699 -177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.5 -29.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.046 0.451 . . . . 0.0 110.539 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 11' ' ' ARG . 20.9 ttt180 -66.5 -39.21 88.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.242 0.544 . . . . 0.0 109.699 175.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.14 -35.51 77.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.766 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.458 HG13 HD21 ' A' ' 40' ' ' LEU . 13.6 mm -58.29 -41.35 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 92.9 m-70 -68.2 -43.35 78.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.422 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -67.81 -19.69 65.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.23 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.423 HG21 ' HD2' ' A' ' 20' ' ' ARG . 36.5 m -80.66 -18.32 48.39 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.102 0.477 . . . . 0.0 110.535 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 8.18 4.47 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.789 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.68 5.99 68.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.584 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -146.73 142.5 27.86 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 16' ' ' THR . 18.5 tpt180 -141.95 129.24 21.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 50' ' ' THR . 4.0 pt20 -116.72 117.01 28.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.432 0.634 . . . . 0.0 111.076 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 24' ' ' GLY . 32.0 t -113.23 132.34 62.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.877 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 p90 -73.99 -19.94 60.49 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -177.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.562 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 156.04 -125.84 1.71 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.228 -0.986 . . . . 0.0 112.883 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m 61.92 -177.76 0.13 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.796 0.438 . . . . 0.0 110.511 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -78.43 -17.89 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.43 0.634 . . . . 0.0 109.396 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.64 -24.35 60.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.197 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 35.6 tt0 -76.15 -21.16 56.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.626 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tmtt? -57.33 -53.34 66.42 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-O 119.538 -0.267 . . . . 0.0 111.603 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.488 ' O ' HD13 ' A' ' 34' ' ' LEU . 13.5 Cg_endo -57.42 -27.55 76.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.75 1.633 . . . . 0.0 112.144 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.4 m-85 -67.78 -50.43 57.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 9.8 pt-20 -72.1 -24.34 61.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 110.206 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.9 -45.0 87.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.723 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 30' ' ' PRO . 8.5 mp -66.85 -25.15 66.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.077 176.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 94.5 t -61.48 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.112 173.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.98 -38.31 90.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.26 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.58 -25.29 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.66 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.84 47.55 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.212 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -89.99 -34.3 16.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.096 0.474 . . . . 0.0 110.823 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 58.4 mt -118.87 156.96 28.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.608 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -140.15 114.7 9.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.097 173.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' HIS . 27.0 ptt180 -74.44 112.41 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 t -95.3 -43.59 7.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.594 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 p -160.63 159.54 30.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.956 0.408 . . . . 0.0 111.314 -176.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 50' ' ' THR . 30.2 m -125.25 147.85 29.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.433 177.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -130.09 119.57 23.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m 71.63 -56.03 0.65 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.026 -173.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 49' ' ' ALA . 35.0 ptt180 -176.12 -16.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.674 175.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -60.04 114.88 3.07 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 176.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.744 ' HA ' HG12 ' A' ' 45' ' ' VAL . 14.4 m -93.78 123.04 36.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.498 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 27.3 m-70 -89.26 115.09 26.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' HB3' HD22 ' A' ' 40' ' ' LEU . 96.0 m-85 -104.69 119.16 38.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.809 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.56 149.07 25.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.382 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 pt -69.19 140.78 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.179 0.514 . . . . 0.0 111.858 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.1 p -108.92 -173.82 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.116 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.93 -47.57 85.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.6 -39.85 95.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.74 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.01 -29.84 75.15 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.092 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.473 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 31.3 m -73.86 -44.01 56.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 p -68.1 -33.62 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.371 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.43 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.839 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.73 71.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.54 -176.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.95 -24.05 62.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.224 0.535 . . . . 0.0 110.324 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -66.56 -30.71 71.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.92 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.061 -176.742 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.952 0.406 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -81.8 146.74 29.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.758 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -102.85 177.53 4.82 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -60.13 -31.05 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.009 -177.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -32.81 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.247 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 68.0 m-20 -74.98 -36.72 62.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.97 0.414 . . . . 0.0 109.98 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' HA ' HG22 ' A' ' 10' ' ' ILE . 68.4 m-85 -59.72 -35.79 75.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.592 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 29.3 mtpp -62.84 -40.01 96.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.717 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.02 -43.91 66.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.35 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.4 tp -69.0 -30.14 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.73 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -63.83 -38.14 90.0 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.067 0.461 . . . . 0.0 109.866 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.63 -38.65 81.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.823 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.542 HG13 HD21 ' A' ' 40' ' ' LEU . 14.4 mm -57.95 -36.11 54.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.358 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 83.6 m-70 -73.39 -45.65 53.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.932 176.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -62.4 -33.94 75.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.074 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.457 HG21 ' HB2' ' A' ' 20' ' ' ARG . 13.8 t -81.27 12.25 3.69 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.872 0.368 . . . . 0.0 111.66 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.11 14.1 19.65 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.213 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.14 -7.01 83.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.793 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -146.55 133.98 20.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.892 0.377 . . . . 0.0 110.536 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HB2' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -128.95 129.06 44.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.658 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.8 134.86 44.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 0.0 110.329 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 28' ' ' GLN . 39.0 t -127.95 140.13 50.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.935 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -81.38 166.88 20.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.824 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' H ' ' HG2' ' A' ' 48' ' ' ARG . . . -74.61 82.21 0.83 Allowed Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.723 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -150.59 -171.41 3.91 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.1 ttp180 -64.28 -29.12 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.662 0.268 . . . . 0.0 110.73 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.73 -26.61 46.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.929 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' HA ' HG11 ' A' ' 22' ' ' VAL . 33.6 tt0 -78.8 -21.61 47.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.314 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 15.4 tppt? -61.78 -51.17 77.93 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -175.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 18.1 Cg_endo -59.54 -21.96 64.38 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.948 1.765 . . . . 0.0 112.28 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.6 m-85 -78.04 -38.69 44.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.249 176.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.32 -31.06 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.015 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.42 -38.92 75.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.172 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 66.3 mt -76.66 -28.58 56.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.919 177.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 31' ' ' PHE . 93.1 t -65.98 -40.55 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.971 0.415 . . . . 0.0 110.288 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.66 -34.15 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.396 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.97 -18.18 47.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.854 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.99 15.91 52.7 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.696 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 40.2 m0 -86.04 -32.95 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.249 0.547 . . . . 0.0 110.491 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.542 HD21 HG13 ' A' ' 13' ' ' ILE . 52.6 mt -119.12 161.29 20.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.448 177.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -137.4 120.0 16.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.285 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 10.7 ptm180 -102.48 105.05 15.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.052 175.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.4 m -116.83 -57.15 2.2 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.61 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.8 m -95.66 119.34 33.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.356 0.598 . . . . 0.0 111.558 -175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 50' ' ' THR . 33.4 m -115.75 152.43 17.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.317 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.93 99.43 6.13 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t 67.0 -75.2 0.06 Allowed 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.825 0.703 . . . . 0.0 110.402 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HG2' ' H ' ' A' ' 24' ' ' GLY . 41.3 ttp180 -137.01 -25.21 1.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.759 0.314 . . . . 0.0 110.348 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.3 115.45 5.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.071 0.462 . . . . 0.0 110.119 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.618 HG23 HG12 ' A' ' 45' ' ' VAL . 31.4 m -101.77 127.65 48.46 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.616 -176.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -91.12 117.48 29.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.823 -177.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 42' ' ' ARG . 96.0 m-85 -104.15 123.8 47.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.074 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -112.32 150.5 30.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.305 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.3 pt -65.42 134.46 29.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -103.45 -174.24 2.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.546 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.8 mp0 -60.02 -50.23 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.24 -40.63 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.503 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.62 -34.29 89.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.21 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.578 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.38 -44.62 58.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.02 0.438 . . . . 0.0 110.337 175.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -61.24 -37.29 82.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.881 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.65 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.51 73.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 0.0 110.73 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.8 tp -76.84 -23.31 52.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.637 175.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 60.7 103.15 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.92 -1.036 . . . . 0.0 112.348 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.313 174.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.1 tpp . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -83.14 148.61 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.604 -175.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.559 HG22 ' OD2' ' A' ' 6' ' ' ASP . 13.8 t -106.52 -178.85 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' A' ' 7' ' ' PHE . . . -59.28 -31.2 68.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.539 ' H ' HG23 ' A' ' 3' ' ' THR . 3.8 m-20 -69.59 -32.37 71.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.909 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.592 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 22.5 m-20 -71.26 -33.26 69.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' ILE . 49.3 m-85 -61.02 -35.1 75.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.339 172.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -66.78 -40.2 88.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.623 174.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD22 HD22 ' A' ' 34' ' ' LEU . 7.4 tt -64.49 -48.22 76.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.447 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG23 ' HB2' ' A' ' 62' ' ' ALA . 9.2 tp -67.94 -31.36 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.789 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 41.9 ttm180 -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 176.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 9.5 t70 -56.08 -38.35 70.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.555 176.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.631 HG13 HD21 ' A' ' 40' ' ' LEU . 10.2 mm -58.02 -39.91 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.291 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.692 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 89.2 m-70 -72.23 -41.92 66.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -60.66 -31.04 70.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -83.76 4.12 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.393 0.616 . . . . 0.0 111.111 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.57 23.1 7.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.213 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.99 1.76 86.59 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.284 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -147.0 143.78 28.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 4.6 tpp180 -135.58 120.44 18.54 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -100.54 111.95 24.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.299 0.571 . . . . 0.0 110.214 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -109.37 136.97 43.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.642 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -107.21 146.49 31.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.779 0.324 . . . . 0.0 110.492 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.61 -130.79 10.34 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.12 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.2 m -156.89 -37.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.798 0.332 . . . . 0.0 110.424 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -62.24 -44.15 97.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.877 0.37 . . . . 0.0 111.173 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -75.19 -25.72 58.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.369 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 84.6 mt-30 -77.03 -22.91 52.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.503 -177.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 87.7 tttt -48.52 -53.37 36.09 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -173.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 28.6 Cg_endo -63.3 -36.89 53.76 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.741 1.628 . . . . 0.0 112.216 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.4 m-85 -63.56 -37.15 86.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 28' ' ' GLN . 41.2 mt-10 -61.83 -30.41 70.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.206 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.44 -35.91 63.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.41 . . . . 0.0 110.535 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.463 HD22 HD22 ' A' ' 9' ' ' LEU . 11.3 mp -68.76 -24.13 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.389 176.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' PHE . 86.1 t -63.47 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.902 173.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.41 -19.47 65.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.188 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.46 21.04 49.88 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.069 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -91.21 -37.04 13.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.349 0.595 . . . . 0.0 109.48 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.631 HD21 HG13 ' A' ' 13' ' ' ILE . 41.4 mt -115.73 160.73 19.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.816 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 34.1 ttpt -138.19 131.35 30.18 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.726 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -86.56 112.78 21.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.12 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 49.1 m -149.84 163.15 38.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.09 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 51' ' ' HIS . 20.1 m 52.74 72.03 0.44 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.139 0.495 . . . . 0.0 111.211 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.637 HG12 HG23 ' A' ' 50' ' ' THR . 34.0 m -100.33 138.51 24.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.034 0.445 . . . . 0.0 110.998 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -130.56 98.46 4.67 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.4 p 48.79 -92.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.086 0.954 . . . . 0.0 112.152 -172.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 14.6 mmt180 -96.72 -18.36 19.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.09 141.95 31.63 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.862 0.363 . . . . 0.0 110.564 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.637 HG23 HG12 ' A' ' 45' ' ' VAL . 60.6 m -142.29 124.69 15.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.827 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 43' ' ' SER . 11.2 m170 -81.43 117.61 22.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.27 175.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 40' ' ' LEU . 92.7 m-85 -97.34 115.86 28.47 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -100.56 143.76 30.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.388 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.04 134.93 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.204 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.4 p -95.74 179.73 5.01 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.716 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.55 -46.02 90.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 174.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -65.64 -41.15 92.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.419 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.69 73.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.295 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.692 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 38.5 m -73.5 -44.92 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.941 0.401 . . . . 0.0 110.176 175.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.5 t -64.0 -40.22 95.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.88 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.66 ' O ' ' HG2' ' A' ' 64' ' ' ARG . . . -66.4 -47.63 72.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.038 -177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 10' ' ' ILE . . . -75.84 -25.73 56.51 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.3 tp -80.72 -0.21 37.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.085 0.469 . . . . 0.0 111.347 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 8.1 ptm180 -71.75 175.03 6.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.337 0.589 . . . . 0.0 111.555 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.248 1.004 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 170.064 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.5 mtp . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.781 0.324 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.74 154.68 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.2 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.44 HG22 ' OD2' ' A' ' 6' ' ' ASP . 15.4 t -100.97 170.48 8.26 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.6 -32.51 67.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.818 0.342 . . . . 0.0 111.319 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.666 ' HA ' ' HE2' ' A' ' 8' ' ' LYS . 19.6 t70 -59.22 -40.87 87.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.547 ' HB3' HD21 ' A' ' 34' ' ' LEU . 66.5 m-20 -67.98 -37.92 82.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.283 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 53.5 m-85 -60.28 -41.99 94.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.73 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 5' ' ' ASP . 48.1 mtmt -63.86 -41.83 97.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.308 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 10.2 tt -69.12 -42.27 76.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.065 -176.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.36 -32.69 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.712 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 73.2 mtp180 -71.96 -29.26 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.984 0.421 . . . . 0.0 110.222 175.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 16.1 t70 -60.63 -37.38 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.913 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.549 HG13 HD21 ' A' ' 40' ' ' LEU . 10.5 mm -59.28 -42.34 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.226 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.6 m-70 -68.82 -42.53 77.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.214 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 m -60.74 -36.27 78.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.417 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -81.88 4.24 23.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.81 -13.55 7.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.454 -0.879 . . . . 0.0 113.061 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.64 14.24 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.142 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -131.67 149.05 52.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 20' ' ' ARG . 2.2 tpm_? -140.43 119.76 13.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.203 -176.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -99.17 135.27 40.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.838 0.351 . . . . 0.0 110.158 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 24.1 t -123.44 140.05 48.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 64.4 m-85 -98.09 -33.19 11.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.783 0.325 . . . . 0.0 111.532 -172.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.664 ' O ' ' HG3' ' A' ' 28' ' ' GLN . . . -108.13 132.34 11.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.79 -172.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 m -58.73 -30.28 67.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD3' HH11 ' A' ' 26' ' ' ARG . 5.3 mpt_? -64.99 -42.5 94.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.897 0.38 . . . . 0.0 110.328 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.22 -27.23 60.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.268 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.664 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 94.6 mt-30 -73.05 -21.42 60.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.868 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 29' ' ' LYS . 51.9 mtpt -44.39 -59.65 3.67 Favored Pre-proline 0 N--CA 1.469 0.481 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -176.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' A' ' 29' ' ' LYS . 36.7 Cg_endo -65.39 -28.57 54.47 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.755 1.636 . . . . 0.0 112.254 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.6 m-85 -71.56 -48.08 50.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.635 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 9.9 pt-20 -72.37 -23.96 61.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.916 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.17 -44.98 96.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.24 0.543 . . . . 0.0 109.611 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 6' ' ' ASP . 58.7 mt -68.17 -27.71 66.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.93 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' PHE . 78.9 t -63.2 -43.63 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.37 . . . . 0.0 110.257 175.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.58 -33.87 74.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.518 HD12 HD23 ' A' ' 34' ' ' LEU . 89.3 mt -72.05 -24.32 61.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.636 175.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.56 9.52 46.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.931 176.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -85.13 -35.25 21.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.0 110.247 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD21 HG13 ' A' ' 13' ' ' ILE . 48.3 mt -115.02 157.63 23.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.676 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 85.9 tttt -133.63 134.3 43.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.668 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -88.99 102.94 15.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.8 m -85.71 -67.01 0.84 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.073 0.463 . . . . 0.0 110.675 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 m -125.4 122.4 36.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.105 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.487 HG22 HG23 ' A' ' 50' ' ' THR . 38.2 t -104.98 102.05 13.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 172.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -108.06 101.07 10.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.186 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 21.4 t 54.73 71.4 0.53 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.863 0.727 . . . . 0.0 110.327 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 47' ' ' SER . 24.8 ptt85 64.33 -31.31 0.12 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.66 1.584 . . . . 0.0 113.146 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -67.24 115.01 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.221 0.534 . . . . 0.0 110.184 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.487 HG23 HG22 ' A' ' 45' ' ' VAL . 90.5 m -105.48 122.59 46.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.716 -175.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -88.48 115.35 25.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 94.2 m-85 -97.08 138.36 34.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -121.03 141.86 50.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.267 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.7 pt -65.78 131.62 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 111.24 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -96.31 -178.7 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.85 -42.68 84.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.35 -46.45 76.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.308 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.82 -29.0 71.07 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.383 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.428 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 23.9 m -73.99 -48.2 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.917 0.389 . . . . 0.0 110.073 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 32.4 t -61.19 -37.38 82.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.55 91.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.5 -29.16 59.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.092 0.473 . . . . 0.0 110.55 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.0 tp -79.35 -0.65 33.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.625 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 60' ' ' SER . 4.0 mmp_? -71.79 -16.06 62.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.989 0.423 . . . . 0.0 110.251 176.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.246 0.92 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.336 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' A' ' 6' ' ' ASP . . . -66.67 144.41 56.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 175.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.578 HG22 ' OD2' ' A' ' 6' ' ' ASP . 7.2 t -99.7 -179.04 4.06 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.54 70.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.665 0.269 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' H ' HG23 ' A' ' 3' ' ' THR . 36.4 t70 -71.05 -28.35 64.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.969 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.578 ' OD2' HG22 ' A' ' 3' ' ' THR . 8.1 m-20 -66.43 -42.98 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' HA ' HG22 ' A' ' 10' ' ' ILE . 70.6 m-85 -61.7 -42.05 98.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.96 173.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 5' ' ' ASP . 26.3 tttm -57.56 -41.86 81.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.632 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 34' ' ' LEU . 7.9 tt -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.945 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 7' ' ' PHE . 11.2 tp -68.65 -31.62 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.901 -177.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 65' ' ' SER . 20.0 mtm180 -68.62 -37.44 79.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.07 -37.49 71.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.457 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.523 HG13 HD21 ' A' ' 40' ' ' LEU . 14.7 mm -58.38 -45.22 89.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.348 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -68.68 -37.73 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.303 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -68.45 -14.89 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.475 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -90.25 -1.33 57.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.462 0.648 . . . . 0.0 109.941 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.16 -5.69 23.54 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.286 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.04 -15.71 13.41 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.953 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -132.71 139.51 47.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' ' HE2' ' A' ' 31' ' ' PHE . 25.4 tpt180 -128.3 132.09 48.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.37 120.7 41.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.418 0.628 . . . . 0.0 111.095 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 24' ' ' GLY . 34.0 t -124.32 131.08 73.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.171 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.617 ' HB2' ' HG3' ' A' ' 48' ' ' ARG . 26.5 p90 -98.74 20.74 12.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 123.83 -147.04 16.55 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.046 172.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.1 p 58.99 -171.81 0.11 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.481 1.112 . . . . 0.0 111.754 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -61.79 -22.55 65.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.811 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.0 -31.5 72.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.508 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -80.02 -21.89 43.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.538 0.209 . . . . 0.0 111.446 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 31.3 mmmt -54.78 -51.79 75.99 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 31.0 Cg_endo -66.64 -23.9 48.73 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 121.64 1.56 . . . . 0.0 112.458 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' HE2' ' HG2' ' A' ' 20' ' ' ARG . 44.2 m-85 -75.07 -47.61 27.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.08 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.78 -24.62 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.536 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.73 -44.92 80.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 58.5 mt -64.44 -23.98 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.971 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.71 -39.54 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.979 0.419 . . . . 0.0 110.161 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.27 -36.69 82.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.156 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD12 HD23 ' A' ' 34' ' ' LEU . 98.4 mt -73.64 -17.48 61.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.3 2.92 60.28 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.85 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 24.5 m0 -77.69 -38.73 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 13' ' ' ILE . 40.8 mt -114.05 156.04 24.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -132.6 121.31 23.03 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.753 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -75.85 107.56 8.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.6 t -91.43 -41.56 10.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.299 -171.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.4 p -158.98 147.13 17.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.999 0.428 . . . . 0.0 111.516 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.31 98.08 6.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -92.22 109.82 21.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.903 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.8 m 64.65 -81.96 0.03 OUTLIER 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.812 0.695 . . . . 0.0 109.37 -169.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.617 ' HG3' ' HB2' ' A' ' 23' ' ' PHE . 11.1 ptm180 -141.26 0.94 1.56 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 169.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -81.35 114.68 20.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.536 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 m -83.07 116.46 22.31 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.811 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -83.52 114.77 21.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -96.45 121.0 37.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.32 0.581 . . . . 0.0 110.373 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -104.13 138.97 39.85 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.118 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.1 pt -66.28 140.99 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.018 0.437 . . . . 0.0 111.398 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.0 p -107.93 -174.19 2.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.344 177.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -63.49 -49.42 73.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.224 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.72 -29.85 75.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.798 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.2 m -73.13 -46.77 49.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.836 0.35 . . . . 0.0 110.302 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -68.22 -37.38 80.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.22 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 111.09 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 11' ' ' ARG . . . -71.33 -24.79 62.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.763 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.8 tp -77.63 -25.57 49.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.286 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -72.34 -56.38 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.557 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.542 ' O ' ' HD3' ' A' ' 11' ' ' ARG . 37.6 m . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.583 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -76.08 118.2 18.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -172.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.559 HG22 ' OD2' ' A' ' 6' ' ' ASP . 12.8 t -102.7 -179.93 4.11 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.16 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.987 0.423 . . . . 0.0 111.307 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.539 ' H ' HG23 ' A' ' 3' ' ' THR . 18.8 t70 -64.06 -41.85 97.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.01 177.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.559 ' OD2' HG22 ' A' ' 3' ' ' THR . 44.8 m-20 -65.32 -34.38 78.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -60.48 -35.35 75.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.15 -34.2 49.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.966 0.413 . . . . 0.0 110.224 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD22 HD22 ' A' ' 34' ' ' LEU . 6.6 tt -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.75 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.3 tp -68.78 -29.65 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HA ' ' HB1' ' A' ' 62' ' ' ALA . 35.7 ttm-85 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.134 0.492 . . . . 0.0 109.826 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.562 ' HA ' ' OG ' ' A' ' 15' ' ' SER . 14.0 t70 -60.34 -34.36 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.098 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 40' ' ' LEU . 17.4 mm -58.49 -36.13 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.329 0.585 . . . . 0.0 110.074 176.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 93.0 m-70 -75.34 -40.52 58.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.56 176.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.562 ' OG ' ' HA ' ' A' ' 12' ' ' ASP . 94.7 p -68.84 -28.75 67.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.203 -175.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.4 p -82.7 6.2 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.952 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 3.13 16.2 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.282 175.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.79 -8.34 57.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.948 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HD2' ' O ' ' A' ' 19' ' ' ARG . 7.0 ppt_? -146.3 146.9 30.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -129.96 126.43 37.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 50' ' ' THR . 15.4 pt20 -108.83 114.34 28.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.302 0.573 . . . . 0.0 110.636 178.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.1 t -114.61 135.76 53.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.994 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.481 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 9.6 p90 -63.57 -52.03 62.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.788 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' HB2' ' A' ' 28' ' ' GLN . . . 155.19 -150.73 22.3 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.094 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 t 65.35 -157.35 0.28 Allowed 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.786 0.434 . . . . 0.0 110.373 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -63.86 -22.9 67.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.52 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.74 -40.69 95.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.725 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.435 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 35.8 tt0 -81.45 -21.3 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.442 -177.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 86.4 tttt -49.83 -50.02 70.24 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 37.3 Cg_endo -66.9 -27.77 43.08 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.634 1.556 . . . . 0.0 112.625 177.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -70.01 -42.86 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.221 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.63 -25.17 64.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.905 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 14.5 t70 -66.42 -36.25 82.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.136 0.493 . . . . 0.0 109.734 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.7 mp -73.6 -24.11 60.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.323 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.84 -42.28 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 109.652 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.05 -37.59 83.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.47 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 2' ' ' ALA . 80.2 mt -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.269 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.16 21.11 55.98 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.824 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.4 m0 -92.27 -36.42 13.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.237 0.542 . . . . 0.0 109.902 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 13' ' ' ILE . 73.9 mt -114.93 148.09 39.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.465 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -127.58 132.35 49.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.922 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -78.69 151.18 32.32 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -157.56 -58.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.555 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.1 p -136.06 150.93 49.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 0.0 111.461 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 50' ' ' THR . 31.4 m -132.91 135.71 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.211 175.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -130.56 111.06 11.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.331 0.586 . . . . 0.0 109.851 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 48' ' ' ARG . 17.2 t 52.79 68.22 0.87 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.735 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 47' ' ' SER . 26.9 tpt180 75.78 -37.76 0.33 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.017 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -64.75 115.68 5.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.47 . . . . 0.0 111.53 -177.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.728 ' HA ' HG12 ' A' ' 45' ' ' VAL . 14.6 m -94.2 128.83 40.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.497 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -91.4 117.76 29.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.203 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HB3' HD22 ' A' ' 40' ' ' LEU . 98.7 m-85 -104.88 120.71 42.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 174.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -101.54 148.53 25.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 pt -68.87 138.11 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -98.31 177.04 5.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.613 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.6 pm0 -70.34 -29.45 66.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.91 -44.23 61.49 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.58 70.6 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.947 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.519 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 77.8 m -69.85 -44.59 69.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.993 0.425 . . . . 0.0 110.4 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 22.5 t -67.17 -45.92 75.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.575 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.57 92.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.583 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 11' ' ' ARG . . . -65.89 -26.98 67.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.616 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.5 tp -84.33 -22.65 30.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.525 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 60' ' ' SER . 24.8 mmm180 -62.04 -40.59 96.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.277 -179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.254 1.293 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.317 -179.604 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -78.24 154.82 30.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.263 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.424 HG22 ' OD2' ' A' ' 6' ' ' ASP . 14.6 t -99.3 174.81 6.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.966 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.36 -32.49 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -74.11 -25.9 60.04 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.215 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.606 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 73.8 m-20 -72.86 -33.24 65.98 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -59.56 -37.18 77.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -65.46 -44.43 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.84 -45.18 93.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.804 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.55 -31.64 51.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.738 0.304 . . . . 0.0 110.94 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.53 -36.24 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.498 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.544 HG13 HD21 ' A' ' 40' ' ' LEU . 14.7 mm -58.09 -43.89 86.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.216 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -69.13 -41.01 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.007 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.3 m -63.15 -27.31 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.025 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 m -76.09 -18.74 59.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.832 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.57 -11.24 4.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.58 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 54' ' ' ILE . . . 120.72 -29.83 5.72 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -125.73 135.05 51.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.039 0.447 . . . . 0.0 110.354 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -128.16 115.19 18.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.408 -175.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -90.81 129.33 36.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.075 0.464 . . . . 0.0 110.69 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 t -119.75 124.64 73.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.733 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 98.7 m-85 -68.48 -57.52 5.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.701 -175.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.42 94.21 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.537 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 m -150.36 175.38 11.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -62.51 -29.58 70.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.129 0.49 . . . . 0.0 109.958 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 17.4 mp0 -59.23 -24.79 63.46 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.483 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 41.7 tt0 -69.89 -22.36 63.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.706 0.288 . . . . 0.0 111.041 -177.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -60.34 -53.77 61.53 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.3 Cg_endo -58.28 -29.84 89.1 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.888 1.725 . . . . 0.0 112.639 176.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.1 m-85 -61.7 -43.8 98.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.13 0.49 . . . . 0.0 109.789 175.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.62 -31.18 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.375 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.11 -40.07 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.135 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 64.9 mt -65.61 -30.46 71.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.591 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 31' ' ' PHE . 96.1 t -62.89 -42.12 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.215 0.531 . . . . 0.0 109.772 174.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.04 -33.55 76.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.55 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.21 -16.88 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.301 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.07 41.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 23.1 m0 -93.15 -35.9 12.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 13' ' ' ILE . 61.9 mt -121.13 156.54 32.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.431 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -139.87 121.71 15.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.051 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 65.9 mtm180 -78.62 103.25 8.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.147 0.499 . . . . 0.0 110.093 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 3.3 p -128.17 140.45 51.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.056 -177.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.2 m 57.04 66.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.339 0.59 . . . . 0.0 109.85 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG12 HG23 ' A' ' 50' ' ' THR . 14.2 m -83.39 105.69 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.535 0.684 . . . . 0.0 111.394 -175.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 1.4 m-20 -75.02 162.0 28.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.492 177.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -76.97 -23.12 52.33 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -76.4 -60.49 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.816 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -140.01 144.68 37.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.143 0.497 . . . . 0.0 111.602 -175.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.454 HG23 HG12 ' A' ' 45' ' ' VAL . 24.5 m -85.49 120.13 26.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.777 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' SER . 12.3 m-70 -87.84 118.11 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.796 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 42' ' ' ARG . 96.3 m-85 -100.34 122.42 43.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -101.72 139.86 36.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.267 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 18' ' ' GLY . 22.3 pt -61.94 127.1 21.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.297 0.57 . . . . 0.0 111.008 176.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -102.8 174.25 5.96 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.175 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 55' ' ' THR . 33.8 tt0 -56.89 -51.27 69.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.675 0.274 . . . . 0.0 111.639 -174.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -33.94 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.572 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.08 -31.91 72.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.478 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.7 m -70.4 -44.16 68.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.917 0.389 . . . . 0.0 110.478 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.7 t -67.44 -40.68 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.032 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.1 85.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.5 -23.59 66.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.506 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 tp -79.43 -12.69 59.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -78.06 146.3 35.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.346 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 C--O 1.244 0.808 0 CA-C-O 119.078 -0.487 . . . . 0.0 109.78 175.335 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 6' ' ' ASP . . . -103.69 162.23 13.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.022 0.439 . . . . 0.0 111.359 -174.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 5' ' ' ASP . 15.3 t -123.93 -179.45 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.32 176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 7' ' ' PHE . . . -57.11 -31.74 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.301 . . . . 0.0 111.57 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 3' ' ' THR . 13.0 m-20 -66.17 -30.53 71.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 9.7 m-20 -71.49 -35.61 70.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.145 177.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' HA ' HG22 ' A' ' 10' ' ' ILE . 67.8 m-85 -59.28 -39.51 83.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.517 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 4' ' ' ALA . 85.8 mttt -60.07 -46.93 87.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.175 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.78 -44.89 80.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.845 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.9 tp -67.24 -32.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.689 0.28 . . . . 0.0 111.139 -176.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 28.2 mtm180 -70.98 -31.57 68.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 176.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.93 -35.89 79.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.238 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.535 HG13 HD21 ' A' ' 40' ' ' LEU . 15.1 mm -57.5 -45.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.806 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.521 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 82.1 m-70 -67.6 -43.25 80.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.171 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 t -60.37 -37.29 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.84 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 m -69.27 -18.6 63.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.116 0.484 . . . . 0.0 111.0 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.67 -15.14 3.14 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.596 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.89 -3.24 10.82 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.783 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -146.66 151.87 37.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.419 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -137.29 120.98 17.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -99.53 123.16 43.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.098 0.475 . . . . 0.0 110.974 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t -112.49 128.32 69.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . 99.3 m-85 -64.77 -72.82 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -169.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.21 76.73 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.498 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.0 p -148.27 -169.98 3.48 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -69.23 -14.42 62.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.024 0.44 . . . . 0.0 109.816 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.92 -25.93 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.12 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -71.53 -22.57 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 47.4 mmtt -63.38 -48.38 82.22 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 25.4 Cg_endo -64.32 -22.82 66.11 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.592 1.528 . . . . 0.0 112.215 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -80.57 -47.24 14.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 10.9 pt-20 -66.06 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 36.9 t70 -66.29 -39.48 89.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.066 0.46 . . . . 0.0 109.926 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 37' ' ' LEU . 83.1 mt -68.88 -30.03 68.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.05 176.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 96.8 t -62.96 -39.33 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.406 0.622 . . . . 0.0 109.932 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.13 -39.87 86.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.537 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 HD23 ' A' ' 34' ' ' LEU . 96.8 mt -71.46 -25.31 62.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.484 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 57' ' ' ARG . . . 100.58 12.52 37.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.359 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 28.1 m0 -87.09 -39.04 15.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.22 0.534 . . . . 0.0 109.651 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 48.5 mt -114.08 161.52 17.63 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.27 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 44.9 tttp -145.52 134.09 22.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.794 -174.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -91.3 101.08 13.78 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -103.68 -73.77 0.66 Allowed 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -84.82 112.61 20.68 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.605 HG12 HG23 ' A' ' 50' ' ' THR . 14.1 m -118.82 119.71 61.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.373 0.606 . . . . 0.0 111.555 -178.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.638 ' HB3' ' HG2' ' A' ' 48' ' ' ARG . 54.7 m-20 -113.88 152.86 30.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.127 175.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.1 p -73.18 -23.46 60.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.05 0.453 . . . . 0.0 109.963 175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.638 ' HG2' ' HB3' ' A' ' 46' ' ' ASP . 18.9 ptt180 -73.87 -34.96 64.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.709 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . . . -168.65 127.17 1.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.89 0.376 . . . . 0.0 111.165 -176.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.605 HG23 HG12 ' A' ' 45' ' ' VAL . 77.0 m -84.61 125.84 32.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.176 176.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -94.98 117.0 29.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.4 m-85 -93.14 122.27 35.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.207 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -99.23 146.16 26.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.112 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.8 pt -66.58 126.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.31 0.576 . . . . 0.0 110.883 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.59 HG22 ' H ' ' A' ' 56' ' ' GLU . 1.3 m -102.09 177.44 4.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.849 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.59 ' H ' HG22 ' A' ' 55' ' ' THR . 14.2 mm-40 -54.84 -50.33 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.671 0.272 . . . . 0.0 111.295 -176.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 38' ' ' GLY . 99.9 mtt180 -69.6 -27.42 65.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.97 -30.29 61.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.991 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.521 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 75.8 m -72.42 -45.11 61.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.766 0.317 . . . . 0.0 110.875 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 p -68.27 -32.95 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.068 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.708 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . -69.91 -24.21 63.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -85.87 -7.74 58.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.054 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -99.21 98.53 9.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.618 179.323 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.98 142.5 46.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.848 0.356 . . . . 0.0 110.362 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -120.63 -179.86 4.12 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.62 -30.31 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.269 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.61 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.176 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -69.11 -43.66 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.505 ' HA ' HG22 ' A' ' 10' ' ' ILE . 84.7 m-85 -60.65 -41.02 94.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.938 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.4 -43.12 99.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 34' ' ' LEU . 6.5 tt -67.75 -44.5 77.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.567 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 7' ' ' PHE . 10.0 tp -71.05 -33.02 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.291 -177.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 3.2 mtm180 -69.27 -33.38 73.13 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.37 -33.89 71.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.331 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.538 HG13 HD21 ' A' ' 40' ' ' LEU . 16.6 mm -60.83 -37.9 77.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.427 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 59' ' ' THR . 76.2 m-70 -72.9 -45.04 60.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.839 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -60.44 -32.66 71.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.845 -176.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -82.32 0.55 41.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.014 0.435 . . . . 0.0 111.401 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.93 -23.4 4.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.974 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.24 -13.93 7.88 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.906 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -133.87 145.66 49.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 24.6 tpt180 -132.99 121.43 22.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -100.33 111.1 23.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.335 0.588 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 24' ' ' GLY . 30.7 t -96.06 131.58 42.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.173 -178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -77.71 3.41 14.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -172.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.55 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 100.53 -166.86 19.77 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.179 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.3 m 67.99 -157.41 0.2 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 122.446 0.298 . . . . 0.0 111.079 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.5 HH11 ' HD3' ' A' ' 29' ' ' LYS . 10.9 tpp180 -61.53 -36.61 81.06 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.53 -26.66 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.596 ' HG2' ' HG3' ' A' ' 32' ' ' GLU . 6.9 tt0 -79.02 -21.38 47.02 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.278 -177.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HD3' HH11 ' A' ' 26' ' ' ARG . 27.4 ttpp -51.98 -53.04 56.02 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 23.7 Cg_endo -62.32 -31.52 81.67 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.801 1.668 . . . . 0.0 112.349 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.1 m-85 -70.44 -38.36 74.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.156 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 45.3 mt-10 -66.08 -29.36 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.577 177.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.04 -38.69 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.351 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD23 HD12 ' A' ' 37' ' ' LEU . 67.5 mt -66.75 -27.36 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 178.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 59.4 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.181 0.515 . . . . 0.0 110.173 174.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.38 -35.43 77.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.339 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 HD23 ' A' ' 34' ' ' LEU . 94.4 mt -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.706 175.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.05 12.9 62.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.255 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.409 ' CE3' HD22 ' A' ' 34' ' ' LEU . 41.4 m0 -85.73 -33.97 21.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.155 0.502 . . . . 0.0 110.195 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD21 HG13 ' A' ' 13' ' ' ILE . 39.6 mt -117.25 147.81 42.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.488 177.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -133.03 137.42 46.46 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.129 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.695 ' HB3' HG22 ' A' ' 45' ' ' VAL . 82.8 mtt180 -78.51 102.13 7.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.577 176.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -87.56 -70.51 0.62 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 51' ' ' HIS . 5.0 m -70.76 -38.2 73.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.254 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 42' ' ' ARG . 45.9 t 53.0 83.54 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.326 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 26.2 t70 -112.75 142.54 45.26 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.808 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.7 m -79.81 -12.0 59.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.073 -172.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -97.08 -50.02 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . -134.49 114.43 12.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.827 174.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.8 m -76.16 110.59 10.77 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.93 0.395 . . . . 0.0 110.289 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.501 ' HD2' ' O ' ' A' ' 49' ' ' ALA . 12.1 m170 -78.62 115.73 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.667 -178.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' HB3' HD22 ' A' ' 40' ' ' LEU . 95.0 m-85 -101.42 137.9 39.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.841 173.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -123.63 143.62 50.12 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -60.92 144.69 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.975 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.28 -172.97 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.488 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.0 -52.25 64.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.23 -42.07 90.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.482 177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.3 -35.25 91.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.266 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.433 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 30.9 m -73.88 -39.13 64.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.822 0.344 . . . . 0.0 110.401 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.9 t -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.402 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.9 69.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 11' ' ' ARG . . . -74.66 -28.06 60.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.48 177.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 tp -78.31 -0.02 27.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.172 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.822 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -111.36 143.32 42.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.173 178.485 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.503 -0.76 . . . . 0.0 109.881 179.493 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 ptm . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.761 0.315 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.66 136.57 53.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.411 HG22 ' OD2' ' A' ' 6' ' ' ASP . 10.4 t -98.27 169.49 9.54 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 8' ' ' LYS . . . -57.99 -30.85 66.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.812 0.339 . . . . 0.0 111.282 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.521 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 42.8 m-20 -65.81 -27.83 68.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD2' HG22 ' A' ' 3' ' ' THR . 49.5 m-20 -72.6 -38.92 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.29 -36.45 77.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.856 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HD2' ' HA ' ' A' ' 5' ' ' ASP . 88.8 mttt -63.95 -47.59 79.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.377 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.17 -45.76 92.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.468 -176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HA ' HG12 ' A' ' 13' ' ' ILE . 10.5 tp -70.73 -32.43 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -64.51 -37.64 88.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.451 0.644 . . . . 0.0 109.563 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.68 -30.71 70.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.901 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.474 HG12 ' HA ' ' A' ' 10' ' ' ILE . 29.1 mm -56.16 -39.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.684 173.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -73.17 -39.36 65.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.4 p -66.68 -22.97 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.167 0.508 . . . . 0.0 110.42 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -83.11 -3.52 57.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.672 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.57 1.93 15.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.76 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.17 -6.19 61.57 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.868 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -133.62 151.42 51.68 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 20' ' ' ARG . 10.1 tpt180 -146.66 132.1 18.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 50' ' ' THR . 5.1 pt20 -115.36 129.59 56.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.143 0.497 . . . . 0.0 110.631 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 24' ' ' GLY . 40.3 t -126.92 134.62 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.938 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -77.01 -27.52 54.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.068 0.461 . . . . 0.0 111.035 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 22' ' ' VAL . . . 140.03 -133.47 6.05 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.846 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t 62.85 -163.38 0.27 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.824 0.345 . . . . 0.0 110.43 177.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -61.91 -24.53 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.153 0.501 . . . . 0.0 110.815 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 36.7 mt-10 -61.62 -45.28 94.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.684 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.402 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 34.7 tt0 -71.53 -21.93 61.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.02 -173.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 88.0 tttt -51.3 -56.11 23.15 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -175.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.8 Cg_endo -66.34 -27.6 47.55 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.785 1.657 . . . . 0.0 112.955 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.447 ' HD1' ' O ' ' A' ' 27' ' ' GLU . 67.5 m-85 -70.26 -47.68 60.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.106 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -69.41 -23.66 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.324 0.583 . . . . 0.0 109.869 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.49 -42.86 86.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.361 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 39' ' ' TRP . 55.9 mt -67.32 -24.27 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.842 178.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 57.9 t -64.37 -39.91 87.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.77 -39.9 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.165 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.11 -13.57 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.158 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.81 26.9 43.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.28 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 32.2 m0 -97.53 -33.21 11.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 13' ' ' ILE . 67.0 mt -121.06 153.25 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.922 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -138.15 136.46 36.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.107 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -85.21 101.56 12.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.4 t -82.94 -31.0 27.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.058 0.456 . . . . 0.0 110.22 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 51' ' ' HIS . 44.8 t -143.13 113.73 7.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.0 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.8 t -96.84 91.86 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.194 0.521 . . . . 0.0 109.879 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.706 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 7.7 t70 -79.26 155.59 28.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.765 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -58.22 -28.1 64.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.859 -176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -117.88 -42.2 2.85 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.987 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.706 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . -118.71 115.88 25.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.138 0.494 . . . . 0.0 111.944 -176.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 21' ' ' GLN . 18.2 m -81.22 123.07 28.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 44' ' ' SER . 51.2 m-70 -92.04 116.07 28.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.16 143.83 29.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.554 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -122.62 143.12 49.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.859 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.9 pt -65.74 139.4 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 111.743 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -97.69 -177.0 3.64 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 2.0 pm0 -72.66 -38.18 67.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.467 175.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -69.2 -34.23 74.57 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.66 -31.96 79.78 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.038 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.7 m -72.97 -45.07 60.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 0.0 110.491 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.3 t -62.7 -39.11 92.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.69 81.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.89 -29.68 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.831 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -79.33 88.23 4.98 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.722 175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.093 179.1 . . . . . . . . 0 0 . 1 stop_ save_