data_2ezp_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 2ezp _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 ' 1' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.8 mt-30 -70.1 144.29 52.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.0 109.572 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.52 59.37 5.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.007 . . . . 0.0 109.135 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.82 -39.95 91.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.043 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -41.75 93.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.168 -0.957 . . . . 0.0 109.469 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.98 -45.55 92.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.124 -0.985 . . . . 0.0 108.357 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.5 mt -60.06 -39.46 86.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.685 -0.634 . . . . 0.0 109.379 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.58 88.32 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.79 -45.9 71.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.53 -46.31 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -1.075 . . . . 0.0 109.904 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -42.43 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.997 -1.065 . . . . 0.0 108.882 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.47 -39.87 94.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 109.569 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -59.95 -43.07 95.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.855 . . . . 0.0 109.306 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.61 -40.83 96.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.998 -1.064 . . . . 0.0 109.461 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.01 -42.54 94.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.385 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.76 -40.58 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.881 . . . . 0.0 109.704 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.26 -40.66 98.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.158 -0.963 . . . . 0.0 109.196 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.18 -43.26 96.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.254 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.02 -47.46 85.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.262 -0.899 . . . . 0.0 109.932 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.01 -40.09 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 0.0 109.212 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -41.71 87.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.78 -40.01 94.56 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 31.8 mmt180 -60.19 -40.63 90.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.178 -0.951 . . . . 0.0 109.149 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.05 -48.7 80.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.26 -42.02 99.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.928 -1.107 . . . . 0.0 109.453 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.64 -40.78 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.116 -0.99 . . . . 0.0 109.125 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.0 -40.15 88.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.307 -0.87 . . . . 0.0 109.549 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.2 mtt-85 -60.96 -40.26 92.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.8 mt -63.22 -39.97 96.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.0 109.425 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.3 p -65.95 -39.96 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.6 t -60.79 -41.02 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.92 -41.58 92.05 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.351 -0.843 . . . . 0.0 109.766 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.0 -45.85 93.28 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -59.97 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.321 . . . . 0.0 108.864 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -61.88 -40.01 93.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.118 -0.989 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.01 -40.57 89.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.51 -40.01 89.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.128 -0.983 . . . . 0.0 108.876 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.68 89.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.207 -0.933 . . . . 0.0 109.535 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 43' ' ' THR . 49.0 p -60.51 -42.63 96.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.062 -1.024 . . . . 0.0 109.47 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.546 HH22 ' CG ' ' B' ' 82' ' ' ASN . 39.6 mtt-85 -64.09 -39.97 95.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.96 -42.96 96.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.77 -0.581 . . . . 0.0 109.604 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 40' ' ' THR . 23.1 p -60.06 -40.27 88.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.0 109.781 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.7 94.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.07 -1.019 . . . . 0.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -60.07 -39.31 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.704 -0.622 . . . . 0.0 109.538 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.5 -40.06 85.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.114 -0.991 . . . . 0.0 109.079 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -64.73 -40.67 95.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.783 -1.198 . . . . 0.0 109.122 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -70.0 -38.53 76.0 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.208 -0.932 . . . . 0.0 109.168 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.908 -1.12 . . . . 0.0 109.138 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -60.09 -40.12 88.48 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.838 -1.164 . . . . 0.0 108.325 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.444 -0.785 . . . . 0.0 109.809 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.681 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -59.13 -39.79 83.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.661 -1.274 . . . . 0.0 108.807 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.39 -39.34 83.07 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -39.4 85.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 108.917 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.72 117.11 9.19 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 29.9 m120 -132.8 -64.16 0.76 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.446 -0.784 . . . . 0.0 110.312 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.56 117.05 3.98 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.124 -0.985 . . . . 0.0 109.838 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -99.61 128.74 45.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.326 -0.859 . . . . 0.0 110.095 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.39 20.47 65.53 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.491 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.45 23.6 0.11 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.617 -1.52 . . . . 0.0 109.011 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.69 106.77 2.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.658 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -120.0 11.68 11.79 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 23.6 ttt180 -138.27 22.13 2.77 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.55 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.23 152.09 35.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.987 -1.071 . . . . 0.0 108.445 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.87 58.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.48 157.54 43.14 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.582 -0.699 . . . . 0.0 109.391 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -129.06 132.46 47.45 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.81 113.09 25.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.823 -1.173 . . . . 0.0 109.683 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -113.51 122.44 47.28 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 79.8 t -129.49 83.0 66.29 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.467 -0.77 . . . . 0.0 109.946 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.38 62.6 5.76 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.71 2.273 . . . . 0.0 111.165 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.3 t90 -68.81 132.16 90.82 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 76.9 Cg_exo -38.27 149.76 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.652 1.568 . . . . 0.0 111.184 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.676 HD22 ' NE2' ' C' ' 52' ' ' GLN . 43.5 t-20 -129.05 -57.13 1.17 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.346 -0.846 . . . . 0.0 109.148 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 124.04 34.7 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.37 107.93 15.41 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.81 136.26 34.7 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.533 0.682 . . . . 0.0 110.325 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.51 110.36 50.51 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.773 -0.579 . . . . 0.0 109.734 179.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -93.66 -47.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.493 1.462 . . . . 0.0 113.542 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -121.71 -47.73 2.19 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.429 -0.794 . . . . 0.0 112.667 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.711 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.4 p90 -60.06 -58.16 9.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.455 -1.403 . . . . 0.0 112.558 -176.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.8 OUTLIER -79.69 -39.86 30.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.225 -1.547 . . . . 0.0 109.644 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.94 -48.69 80.67 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.186 -0.947 . . . . 0.0 109.819 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.87 -44.67 96.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.035 -1.041 . . . . 0.0 109.745 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.8 p -61.91 -40.01 93.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.087 -1.008 . . . . 0.0 109.721 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.05 -40.0 91.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.071 . . . . 0.0 109.53 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.902 -1.124 . . . . 0.0 108.666 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.11 -41.77 93.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.219 -0.925 . . . . 0.0 108.652 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.2 t90 -59.93 -49.8 76.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.607 -0.683 . . . . 0.0 109.445 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.0 95.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.16 -0.963 . . . . 0.0 109.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -41.85 93.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.191 -0.943 . . . . 0.0 110.605 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -60.08 -42.14 93.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.941 -1.099 . . . . 0.0 109.52 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.15 -40.41 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.159 -0.963 . . . . 0.0 108.713 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.98 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.957 -1.089 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -40.06 87.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.113 -0.992 . . . . 0.0 109.128 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.11 -47.62 85.15 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.305 -0.872 . . . . 0.0 109.439 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.01 -45.72 91.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.745 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.498 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.05 -43.4 95.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 100' ' ' ILE . 92.3 mt -60.13 -46.01 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.05 -1.031 . . . . 0.0 109.543 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.4 p -62.52 -41.1 98.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.08 -1.013 . . . . 0.0 109.699 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.78 76.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.185 -0.947 . . . . 0.0 109.783 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.99 -42.62 98.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.204 -0.935 . . . . 0.0 109.753 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.97 -44.46 94.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 0.0 109.049 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.0 -47.72 84.66 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.114 -0.991 . . . . 0.0 108.762 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.47 -40.17 96.4 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.424 -0.798 . . . . 0.0 109.519 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.36 96.42 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.088 -1.008 . . . . 0.0 109.208 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -59.97 -49.0 79.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.2 -0.937 . . . . 0.0 109.621 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.97 -49.63 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.368 -0.832 . . . . 0.0 109.207 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.67 -40.07 94.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.02 -46.19 90.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 0.0 109.661 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.19 -40.91 94.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -61.87 -40.59 95.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.0 110.0 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.03 -43.37 98.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.011 -1.055 . . . . 0.0 109.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.72 -39.99 88.22 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.0 108.674 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.98 -49.65 76.85 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.62 -0.675 . . . . 0.0 109.533 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.2 -39.94 88.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.028 . . . . 0.0 109.478 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.45 -41.15 93.49 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.369 -0.832 . . . . 0.0 109.785 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -62.34 -41.37 98.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.104 -0.997 . . . . 0.0 109.933 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.51 -38.38 84.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.7 61.78 1.4 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.492 -0.755 . . . . 0.0 109.39 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.851 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 96.8 mt-30 -70.14 144.33 52.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.62 59.56 5.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.065 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.8 -40.01 91.48 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.469 -0.769 . . . . 0.0 109.138 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -42.02 93.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.277 -0.89 . . . . 0.0 109.506 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.0 -45.21 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.15 -0.969 . . . . 0.0 108.462 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.0 -39.9 87.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.693 -0.629 . . . . 0.0 109.399 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.72 87.81 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.68 -45.92 72.39 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.6 -46.4 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -1.057 . . . . 0.0 109.886 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -42.41 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.076 -1.015 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.55 -39.77 94.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 109.555 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.851 . . . . 0.0 109.316 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.78 -40.73 96.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.445 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.06 -42.46 94.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.211 -0.93 . . . . 0.0 109.416 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.93 -40.4 96.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.314 -0.866 . . . . 0.0 109.634 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.34 -40.77 98.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.153 -0.967 . . . . 0.0 109.187 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.33 -0.856 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -47.35 86.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.295 -0.878 . . . . 0.0 109.879 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.049 -1.032 . . . . 0.0 109.296 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -41.96 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.53 -40.1 94.99 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.487 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 31.9 mmt180 -60.17 -40.66 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.106 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.244 -0.91 . . . . 0.0 109.205 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.98 -48.19 82.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 109.671 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.88 -41.55 97.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.071 -1.018 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.07 -40.45 95.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.225 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.07 -40.51 89.74 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.333 -0.854 . . . . 0.0 109.461 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' B' ' 29' ' ' ARG . 43.0 mtt-85 -60.56 -40.73 92.69 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.109 -0.994 . . . . 0.0 109.571 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.457 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.77 -40.22 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.163 -0.961 . . . . 0.0 109.422 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -65.88 -39.99 91.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.962 . . . . 0.0 109.55 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.67 -41.12 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.235 -0.916 . . . . 0.0 109.099 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.274 -0.891 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.3 -45.76 93.8 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.318 . . . . 0.0 108.842 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 109.23 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -40.96 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 0.0 110.158 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.07 -40.04 88.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.142 -0.974 . . . . 0.0 108.94 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.01 -40.64 89.98 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.582 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.7 p -60.46 -42.6 96.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.053 -1.029 . . . . 0.0 109.514 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.519 HH22 ' CG ' ' C' ' 82' ' ' ASN . 40.3 mtt-85 -64.31 -40.04 95.13 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -61.55 -43.47 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 23.6 p -59.97 -40.09 87.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.066 -1.021 . . . . 0.0 109.76 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.985 -1.072 . . . . 0.0 108.402 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.13 -39.29 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.701 -0.624 . . . . 0.0 109.527 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.139 -0.976 . . . . 0.0 109.111 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.39 -41.08 96.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.717 -1.24 . . . . 0.0 109.028 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.1 m-85 -70.02 -38.37 75.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.18 -0.95 . . . . 0.0 109.201 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.01 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.742 -1.224 . . . . 0.0 109.066 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.1 -40.06 88.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.812 -1.18 . . . . 0.0 108.268 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.477 -0.764 . . . . 0.0 109.808 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.673 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.11 -40.04 84.14 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.566 -1.334 . . . . 0.0 108.79 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.43 81.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.809 -1.182 . . . . 0.0 107.811 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -39.43 85.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 108.885 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.71 117.16 9.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.977 -1.077 . . . . 0.0 108.216 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 30.4 m120 -132.74 -63.96 0.76 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.387 -0.821 . . . . 0.0 110.37 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.82 116.97 3.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.099 -1.001 . . . . 0.0 109.815 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -99.55 128.61 45.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 64.47 20.55 65.78 Favored Glycine 0 N--CA 1.491 2.333 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.51 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.47 23.7 0.11 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.645 -1.503 . . . . 0.0 108.987 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.9 106.67 2.26 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -119.91 11.54 11.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 24.0 ttt180 -138.05 22.37 2.82 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.553 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.67 152.11 34.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.935 -1.103 . . . . 0.0 108.332 178.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.89 58.15 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.059 -1.026 . . . . 0.0 108.251 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.67 157.43 42.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.43 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -128.84 132.53 47.79 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.63 113.08 25.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.784 -1.198 . . . . 0.0 109.616 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -113.65 122.39 47.02 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.526 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 78.8 t -129.6 83.11 65.66 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.5 -0.75 . . . . 0.0 109.903 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -85.44 62.63 5.71 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.787 2.325 . . . . 0.0 111.061 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -68.77 132.22 90.85 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' B' ' 72' ' ' TRP . 78.5 Cg_exo -38.26 149.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.634 1.556 . . . . 0.0 111.248 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.681 HD22 ' NE2' ' A' ' 52' ' ' GLN . 43.2 t-20 -129.26 -56.99 1.16 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.389 -0.819 . . . . 0.0 109.216 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.76 124.13 34.88 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.4 t -82.34 107.68 15.2 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.9 mt -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.583 0.706 . . . . 0.0 110.286 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -95.3 110.25 49.5 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.768 -0.582 . . . . 0.0 109.733 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -93.69 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.492 1.461 . . . . 0.0 113.504 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -121.69 -47.71 2.19 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.412 -0.805 . . . . 0.0 112.607 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.713 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.1 p90 -60.12 -58.04 10.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.493 -1.379 . . . . 0.0 112.599 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.713 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.8 OUTLIER -79.79 -39.96 29.7 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.155 -1.59 . . . . 0.0 109.655 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.0 -48.73 80.5 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.693 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.65 -44.82 95.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.93 -1.106 . . . . 0.0 109.7 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 48.1 p -61.89 -40.03 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.06 -1.025 . . . . 0.0 109.755 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -61.19 -40.0 92.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.965 -1.085 . . . . 0.0 109.523 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.06 -41.14 91.69 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.945 -1.097 . . . . 0.0 108.699 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -41.57 93.32 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 68.7 t90 -60.02 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.511 -0.743 . . . . 0.0 109.328 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -43.03 95.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 0.0 109.825 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -41.77 92.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.193 -0.942 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -60.08 -42.3 94.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.921 -1.112 . . . . 0.0 109.479 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.94 -40.54 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.098 -1.001 . . . . 0.0 108.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.05 -49.31 78.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.476 -0.765 . . . . 0.0 109.908 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -60.09 -46.37 89.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.97 -1.081 . . . . 0.0 109.817 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.05 -40.06 87.05 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.081 -1.012 . . . . 0.0 109.157 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.19 -47.25 86.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.452 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.24 -45.71 92.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 109.683 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.458 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.0 -43.83 94.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.0 -45.94 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.062 -1.024 . . . . 0.0 109.635 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 47.8 p -62.7 -40.79 98.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.048 -1.032 . . . . 0.0 109.601 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.82 75.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.92 . . . . 0.0 109.78 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.9 -42.7 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.04 -44.29 94.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 109.078 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.01 -47.42 85.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.146 -0.971 . . . . 0.0 108.806 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.88 -40.23 96.04 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.388 -0.82 . . . . 0.0 109.49 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.4 96.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 0.0 109.213 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.97 -49.27 78.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.487 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.98 -49.31 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.203 -0.936 . . . . 0.0 109.176 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.81 -40.17 94.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.082 -1.011 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -60.0 -45.25 93.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 0.0 109.698 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.34 -40.02 89.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 109.549 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.79 -40.04 96.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.49 -42.81 98.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.0 109.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -67.26 -40.01 86.16 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.221 -0.924 . . . . 0.0 108.598 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.0 -49.41 77.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.653 -0.654 . . . . 0.0 109.493 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -39.97 89.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.123 -0.986 . . . . 0.0 109.46 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.31 -41.0 92.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.824 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.6 mt-30 -62.62 -41.3 98.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 109.958 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.49 -38.11 83.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.244 -0.91 . . . . 0.0 109.398 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.55 -47.68 84.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.61 61.72 1.4 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.565 -0.709 . . . . 0.0 109.321 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.461 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.84 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.442 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.442 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 96.9 mt-30 -70.3 144.32 51.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.0 109.416 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -88.42 59.28 5.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.17 -0.956 . . . . 0.0 109.158 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.65 -40.01 92.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.46 -0.775 . . . . 0.0 109.036 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -42.13 93.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.275 -0.891 . . . . 0.0 109.484 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.96 -45.32 93.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 108.374 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.611 -0.681 . . . . 0.0 109.433 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.61 88.29 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.61 -46.09 71.65 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.35 -46.43 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -1.095 . . . . 0.0 109.995 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.06 -42.39 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.113 -0.992 . . . . 0.0 108.85 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.46 -39.8 94.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.488 -0.758 . . . . 0.0 109.557 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -59.94 -43.24 95.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.344 -0.848 . . . . 0.0 109.322 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.39 -40.82 95.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.026 -1.046 . . . . 0.0 109.431 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.08 -42.13 93.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.486 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.21 -39.94 95.03 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.881 . . . . 0.0 109.643 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.87 -40.66 97.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.166 -0.959 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.14 -43.09 95.96 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.332 -0.855 . . . . 0.0 109.318 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.95 -47.75 84.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.851 . . . . 0.0 109.924 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.98 -40.0 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.212 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -41.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -64.69 -39.96 94.56 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.498 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 31.9 mmt180 -60.37 -40.53 91.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 109.084 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.0 109.26 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.99 -48.3 82.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.58 -41.7 98.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.115 -0.991 . . . . 0.0 109.469 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.03 -40.47 95.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.052 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.25 -40.27 89.72 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.564 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' C' ' 29' ' ' ARG . 43.1 mtt-85 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.126 -0.984 . . . . 0.0 109.549 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.9 mt -63.11 -40.02 96.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 109.455 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -66.16 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.536 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.6 -41.05 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.339 -0.85 . . . . 0.0 109.137 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.339 -0.851 . . . . 0.0 109.712 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.83 -45.85 93.05 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 40.1 m -60.03 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.988 -1.301 . . . . 0.0 108.745 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -62.09 -39.98 94.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.183 -0.948 . . . . 0.0 109.213 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.96 -40.99 90.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 110.078 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.09 -40.06 88.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.117 -0.989 . . . . 0.0 108.974 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.65 90.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.489 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.36 -43.09 96.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.03 -1.044 . . . . 0.0 109.41 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.513 HH22 ' CG ' ' A' ' 82' ' ' ASN . 39.5 mtt-85 -63.86 -39.99 95.51 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.77 -43.17 96.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.687 -0.633 . . . . 0.0 109.648 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 24.2 p -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.06 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.83 94.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 108.386 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.01 -39.25 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.686 -0.634 . . . . 0.0 109.588 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.71 -40.02 86.55 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.221 -0.924 . . . . 0.0 109.112 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.42 -41.12 96.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.867 -1.146 . . . . 0.0 109.135 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.2 m-85 -70.03 -38.23 75.83 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.243 -0.91 . . . . 0.0 109.241 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.159 . . . . 0.0 109.092 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -60.05 -40.18 88.55 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.849 -1.157 . . . . 0.0 108.317 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.03 -39.78 87.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.376 -0.828 . . . . 0.0 109.7 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.676 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.4 -39.91 84.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.634 -1.291 . . . . 0.0 108.794 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.42 81.4 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.846 -1.159 . . . . 0.0 107.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -39.41 85.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.87 117.17 9.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.995 -1.066 . . . . 0.0 108.166 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 30.5 m120 -132.85 -64.03 0.76 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.435 -0.79 . . . . 0.0 110.352 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.64 116.97 3.94 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.171 -0.956 . . . . 0.0 109.897 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -99.59 128.39 45.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.279 -0.888 . . . . 0.0 110.237 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.531 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.53 20.45 65.82 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.934 -1.126 . . . . 0.0 110.485 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -75.38 23.56 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.721 -1.458 . . . . 0.0 109.013 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.531 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.68 106.73 2.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.62 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -120.02 11.8 11.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 23.9 ttt180 -138.3 22.26 2.77 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.555 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.5 152.09 35.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.934 -1.104 . . . . 0.0 108.334 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -100.85 58.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.077 -1.014 . . . . 0.0 108.321 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.45 157.49 43.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.497 -0.752 . . . . 0.0 109.39 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -128.79 132.52 47.88 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.74 113.09 25.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.789 -1.195 . . . . 0.0 109.698 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -113.72 122.48 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.531 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 80.3 t -129.54 82.83 66.55 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -85.21 62.71 5.94 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.669 2.246 . . . . 0.0 111.113 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 15.7 t90 -68.81 132.18 90.81 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.556 -0.715 . . . . 0.0 109.183 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.2 Cg_exo -38.26 149.75 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 121.557 1.505 . . . . 0.0 111.314 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.673 HD22 ' NE2' ' B' ' 52' ' ' GLN . 43.5 t-20 -129.13 -57.04 1.17 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.371 -0.831 . . . . 0.0 109.204 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.67 124.05 34.77 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.31 107.57 15.09 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.68 136.2 34.81 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.556 0.693 . . . . 0.0 110.216 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -95.32 110.29 49.72 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.836 -0.54 . . . . 0.0 109.683 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -93.71 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.179 0 C-N-CA 121.538 1.492 . . . . 0.0 113.528 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -121.65 -47.73 2.19 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.487 -0.758 . . . . 0.0 112.661 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.703 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.2 p90 -60.08 -58.08 10.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.479 -1.388 . . . . 0.0 112.636 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.703 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.8 OUTLIER -79.76 -39.86 30.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.592 -178.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.98 -48.92 79.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.173 -0.954 . . . . 0.0 109.696 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.6 -44.64 96.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.811 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 47.0 p -61.78 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.37 -40.05 92.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.027 -1.045 . . . . 0.0 109.475 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.94 -41.06 90.99 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.907 -1.121 . . . . 0.0 108.815 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.48 93.32 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.309 -0.869 . . . . 0.0 108.74 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.457 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 68.8 t90 -59.98 -49.91 75.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.601 -0.687 . . . . 0.0 109.358 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.04 95.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.221 -0.924 . . . . 0.0 109.809 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.123 -0.985 . . . . 0.0 110.519 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -60.04 -42.12 93.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.895 -1.128 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.08 -40.42 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.126 -0.984 . . . . 0.0 108.771 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.05 -49.48 77.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -60.0 -46.54 89.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.932 -1.105 . . . . 0.0 109.774 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.83 -40.06 87.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.175 -0.953 . . . . 0.0 109.226 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -47.62 85.11 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -45.58 92.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.858 . . . . 0.0 109.741 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.487 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.9 t-20 -59.99 -43.96 94.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.106 -0.996 . . . . 0.0 109.761 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . 0.42 HD11 HG22 ' C' ' 100' ' ' ILE . 92.7 mt -59.99 -45.98 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.976 -1.077 . . . . 0.0 109.629 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 47.5 p -62.63 -40.82 98.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.075 -1.015 . . . . 0.0 109.581 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.53 77.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.983 . . . . 0.0 109.859 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.34 -42.55 98.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.714 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.02 -44.34 94.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.207 -0.933 . . . . 0.0 109.075 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.99 -47.68 84.81 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.115 -0.99 . . . . 0.0 108.783 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.48 -40.78 97.99 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.396 -0.815 . . . . 0.0 109.424 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.41 96.75 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.127 -0.983 . . . . 0.0 109.329 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -59.99 -49.17 78.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.911 . . . . 0.0 109.562 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 93.0 mt -59.98 -49.29 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.203 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.91 -39.98 94.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.0 109.921 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.18 -45.35 93.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.38 -40.11 89.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.61 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.922 . . . . 0.0 109.878 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.44 -43.21 98.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.946 -1.096 . . . . 0.0 109.389 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.92 -40.0 87.54 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.92 -49.41 77.81 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.6 -0.688 . . . . 0.0 109.573 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.95 89.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 109.411 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.46 -41.73 98.97 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -59.91 -38.12 81.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.926 . . . . 0.0 109.734 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.58 -47.51 85.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -127.9 62.05 1.42 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.616 -0.678 . . . . 0.0 109.329 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.459 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.939 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.431 ' H1 ' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.431 ' H ' ' H1 ' ' A' ' 1' ' ' ALA . 28.3 mp0 -72.35 145.33 47.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.404 -0.81 . . . . 0.0 109.778 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -89.09 61.34 5.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.82 -40.03 96.14 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.52 -0.738 . . . . 0.0 109.153 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -60.03 -45.08 93.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.24 -0.912 . . . . 0.0 109.219 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.43 -41.56 94.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 109.133 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.02 -40.03 87.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.818 . . . . 0.0 109.576 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.28 88.58 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.173 -0.954 . . . . 0.0 108.914 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.39 -45.0 57.08 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 10' ' ' ILE . 96.6 mt -59.94 -47.99 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.286 -1.126 . . . . 0.0 109.52 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -44.49 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 108.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.67 -40.2 94.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.215 -0.928 . . . . 0.0 109.421 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -41.71 92.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.0 109.372 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.59 -41.38 97.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.043 -1.036 . . . . 0.0 109.145 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.09 -43.55 95.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.147 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.18 -40.22 95.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.18 -0.95 . . . . 0.0 109.405 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.79 -41.79 95.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.924 . . . . 0.0 109.075 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.59 -43.03 97.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.05 -1.031 . . . . 0.0 109.125 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.1 -48.86 79.94 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.81 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -40.43 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.067 -1.02 . . . . 0.0 109.32 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.02 -44.48 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.024 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.73 -40.74 96.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.461 -0.774 . . . . 0.0 109.281 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.562 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 45.0 mtt-85 -61.76 -39.99 93.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.393 -0.817 . . . . 0.0 109.913 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.05 -40.04 88.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.095 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.04 -45.22 93.57 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.167 -0.958 . . . . 0.0 109.554 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.29 -40.61 90.17 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.22 -40.32 95.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.089 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.15 -40.01 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.567 -0.708 . . . . 0.0 109.207 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -59.86 -41.09 90.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.847 . . . . 0.0 109.361 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 84.7 mt -62.81 -39.88 95.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.556 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 109.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.12 -40.13 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.381 -0.824 . . . . 0.0 109.296 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -59.95 -41.72 92.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.379 -0.826 . . . . 0.0 109.585 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -59.99 -50.04 75.29 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.989 -1.301 . . . . 0.0 109.995 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -61.6 -39.95 93.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.0 109.443 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -59.99 -39.93 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.356 -0.84 . . . . 0.0 109.39 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.923 -1.11 . . . . 0.0 108.163 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.99 -39.96 87.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.317 -0.864 . . . . 0.0 109.607 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' OG1' ' A' ' 43' ' ' THR . 48.5 p -60.0 -40.65 89.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.82 -1.175 . . . . 0.0 108.9 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.569 HH22 ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -63.71 -39.99 95.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.047 -1.033 . . . . 0.0 108.515 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.35 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.47 -0.769 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 40' ' ' THR . 54.3 p -60.02 -39.91 87.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.063 -1.023 . . . . 0.0 109.703 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.95 77.16 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.585 -1.322 . . . . 0.0 108.532 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 45' ' ' ILE . 96.7 mt -64.82 -39.98 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.491 -0.755 . . . . 0.0 110.417 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.783 -1.198 . . . . 0.0 108.064 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -59.93 -46.34 89.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.308 -0.87 . . . . 0.0 109.381 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 53.9 m-85 -65.49 -40.07 92.67 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 109.669 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.97 -39.66 86.41 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.031 -1.043 . . . . 0.0 108.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.05 -39.73 86.95 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.05 -39.47 86.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 109.214 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.67 -39.96 86.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.84 -1.163 . . . . 0.0 109.027 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.02 -37.06 76.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.917 -1.114 . . . . 0.0 108.602 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -39.87 87.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.215 -0.928 . . . . 0.0 108.497 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.7 109.45 7.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.969 -1.082 . . . . 0.0 108.611 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 25.1 m120 -133.44 -63.18 0.76 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.35 111.84 3.2 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.524 ' C ' ' H ' ' A' ' 60' ' ' ALA . 43.5 m95 -131.77 149.99 52.29 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 110.196 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 54.24 6.8 0.68 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -77.12 24.02 0.18 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.285 -1.126 . . . . 0.0 109.075 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.34 109.4 2.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 0.0 110.277 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -105.46 12.74 31.11 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.223 -0.923 . . . . 0.0 109.962 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 62.2 mtp180 -119.7 22.33 11.65 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.545 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.23 151.74 33.49 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.233 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.49 60.26 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.054 -1.029 . . . . 0.0 109.237 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.01 158.12 43.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.463 -0.773 . . . . 0.0 109.182 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -127.5 132.9 49.9 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 t -97.31 120.02 36.9 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.161 -0.962 . . . . 0.0 110.636 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -115.33 122.28 45.41 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.417 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 44.8 t -129.03 85.17 60.78 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.466 -0.771 . . . . 0.0 109.245 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -86.06 64.1 5.25 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.73 2.287 . . . . 0.0 111.788 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.6 t90 -69.94 131.48 89.14 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' TRP . 72.9 Cg_exo -38.31 148.08 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.512 1.475 . . . . 0.0 111.382 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 13.4 t-20 -124.8 -56.16 1.58 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.275 -0.891 . . . . 0.0 109.132 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.42 125.41 33.67 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 t -81.68 108.32 15.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.809 -1.157 . . . . 0.0 108.012 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -81.65 135.4 35.53 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.536 0.684 . . . . 0.0 109.64 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 78' ' ' THR . 15.3 t -91.54 113.14 57.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -93.96 -46.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 114.109 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -121.25 -45.76 2.33 Favored 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.9 p90 -59.99 -55.6 31.98 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.33 -1.481 . . . . 0.0 112.154 -176.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 7.9 t-20 -78.87 -39.51 35.01 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.216 -1.552 . . . . 0.0 109.701 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.95 -47.7 84.72 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.186 -0.946 . . . . 0.0 109.114 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -43.93 95.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.988 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.7 p -68.14 -39.99 82.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.002 -1.062 . . . . 0.0 109.33 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -61.38 -40.04 92.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.078 -1.014 . . . . 0.0 109.303 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.95 -42.48 94.14 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 120.963 -1.086 . . . . 0.0 108.081 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -40.06 96.17 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.542 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.8 t90 -59.96 -50.02 75.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.511 -0.743 . . . . 0.0 109.189 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.5 -39.97 94.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.192 -0.943 . . . . 0.0 109.296 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.32 -41.61 98.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 110.032 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.03 -42.55 94.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.597 -1.314 . . . . 0.0 109.303 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.26 -42.45 90.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 108.828 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.45 -40.15 93.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.421 -0.799 . . . . 0.0 110.625 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -68.89 -40.01 79.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.785 -1.197 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.17 -40.27 78.24 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.114 -0.992 . . . . 0.0 108.448 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.23 -47.28 86.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.55 -41.01 93.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.001 . . . . 0.0 109.646 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.587 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 50.7 t-20 -66.24 -40.91 90.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.118 -0.989 . . . . 0.0 109.74 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.59 -40.11 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.993 -1.067 . . . . 0.0 109.381 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.0 p -62.45 -40.19 95.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.184 -0.948 . . . . 0.0 109.703 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.36 -0.837 . . . . 0.0 109.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.65 -40.07 95.94 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.541 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.68 -44.98 95.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.963 -1.086 . . . . 0.0 109.068 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.08 83.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.17 -0.956 . . . . 0.0 108.974 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.46 -40.46 96.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.587 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.23 -44.32 97.46 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.317 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -49.7 76.66 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.148 -0.97 . . . . 0.0 109.121 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.07 -49.88 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.16 -0.963 . . . . 0.0 109.512 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.02 -40.53 98.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.559 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.0 -50.04 75.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.341 -0.849 . . . . 0.0 109.454 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.5 -42.54 96.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.164 -0.96 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.48 -42.46 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.298 -0.876 . . . . 0.0 109.767 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -0.957 . . . . 0.0 109.149 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.76 -39.94 84.1 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -60.1 -48.78 80.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 0.0 109.69 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.5 mt-30 -60.05 -41.43 92.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.809 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.0 -39.52 86.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.248 -0.907 . . . . 0.0 109.424 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.1 -47.26 85.9 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -126.11 61.96 1.26 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.095 -1.003 . . . . 0.0 109.075 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.28 145.33 47.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.242 -0.911 . . . . 0.0 109.705 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 36.0 p -88.8 61.49 6.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 109.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -62.95 -39.94 96.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.484 -0.76 . . . . 0.0 109.142 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.3 t -60.05 -45.04 94.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.37 -41.66 94.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.18 -0.95 . . . . 0.0 109.199 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.472 -0.768 . . . . 0.0 109.61 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.921 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.89 -44.83 54.86 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.414 HG22 HD11 ' B' ' 10' ' ' ILE . 96.6 mt -60.0 -47.82 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 109.552 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.0 -44.7 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.093 -1.004 . . . . 0.0 108.965 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -61.58 -39.98 93.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.998 . . . . 0.0 109.438 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.417 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.15 -41.54 96.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.063 -1.023 . . . . 0.0 109.176 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.28 -43.26 96.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.26 -0.9 . . . . 0.0 109.145 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.4 -40.23 95.84 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.205 -0.934 . . . . 0.0 109.309 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.9 -41.77 95.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.116 -0.99 . . . . 0.0 109.143 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.6 -42.87 97.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.12 -0.987 . . . . 0.0 109.171 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.04 -48.97 79.52 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.03 -40.57 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.003 -1.06 . . . . 0.0 109.332 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.94 -44.65 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.225 -0.922 . . . . 0.0 108.924 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.72 -40.62 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 0.0 109.259 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.602 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 44.1 mtt-85 -61.87 -39.98 93.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.839 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.1 -40.03 88.22 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.106 -0.996 . . . . 0.0 109.066 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.93 -45.49 92.44 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.223 -0.923 . . . . 0.0 109.418 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.92 -40.75 91.73 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.001 -1.062 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.26 -40.26 95.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.314 -0.866 . . . . 0.0 109.19 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.18 -39.97 88.35 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.515 -0.741 . . . . 0.0 109.197 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.401 ' HG2' HH11 ' B' ' 29' ' ' ARG . 49.4 mtt-85 -60.0 -41.01 91.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.404 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.518 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.4 mt -62.66 -40.18 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.299 -0.876 . . . . 0.0 109.578 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.6 p -64.76 -40.06 94.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.25 -39.99 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.211 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -60.04 -41.24 91.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.534 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.55 94.17 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.04 -50.14 74.9 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.28 . . . . 0.0 109.942 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -61.55 -39.89 92.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.283 -0.886 . . . . 0.0 109.446 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.571 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.947 -1.096 . . . . 0.0 108.264 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.02 -40.1 88.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.384 -0.823 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' B' ' 43' ' ' THR . 47.5 p -59.97 -40.27 88.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.904 -1.123 . . . . 0.0 108.997 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.546 HH22 ' CG ' ' C' ' 82' ' ' ASN . 50.0 mtt-85 -64.14 -39.94 95.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.033 -1.042 . . . . 0.0 108.195 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.51 -41.66 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.489 -0.757 . . . . 0.0 109.524 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 40' ' ' THR . 54.9 p -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.986 -1.071 . . . . 0.0 109.736 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.01 77.99 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.487 -1.383 . . . . 0.0 108.609 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.71 -40.02 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.519 -0.738 . . . . 0.0 110.444 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.837 -1.164 . . . . 0.0 108.079 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -59.99 -46.53 89.16 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.415 -0.803 . . . . 0.0 109.38 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 54.8 m-85 -65.4 -40.0 92.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.93 -39.64 86.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.0 108.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.07 -39.52 86.32 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.07 -39.29 85.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.396 -0.815 . . . . 0.0 109.237 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.7 OUTLIER -59.93 -39.87 86.99 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.802 -1.186 . . . . 0.0 109.026 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.13 76.39 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.936 -1.102 . . . . 0.0 108.506 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.98 -39.55 86.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.945 . . . . 0.0 108.507 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.0 109.52 7.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.025 -1.047 . . . . 0.0 108.669 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.3 m120 -133.58 -62.87 0.77 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.66 111.79 3.11 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.51 ' C ' ' H ' ' B' ' 60' ' ' ALA . 44.0 m95 -131.98 149.99 52.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.402 -0.811 . . . . 0.0 110.169 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 54.2 6.81 0.68 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -77.16 23.77 0.18 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.306 -1.114 . . . . 0.0 109.123 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.23 109.52 2.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.196 -0.94 . . . . 0.0 110.266 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -105.54 13.16 30.44 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.255 -0.903 . . . . 0.0 110.069 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.503 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 62.4 mtp180 -120.07 22.43 11.44 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.539 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.25 151.79 33.54 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 179.227 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -107.65 60.19 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.013 -1.054 . . . . 0.0 109.175 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.7 43.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.485 -0.759 . . . . 0.0 109.245 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.2 133.17 50.31 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.3 t -97.45 120.27 37.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.11 -0.993 . . . . 0.0 110.532 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -115.48 122.42 45.7 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 42.7 t -129.03 85.45 60.0 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.351 -0.843 . . . . 0.0 109.283 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.24 64.15 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.71 2.273 . . . . 0.0 111.916 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.5 t90 -70.04 131.35 89.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.595 -0.691 . . . . 0.0 109.234 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' B' ' 72' ' ' TRP . 73.8 Cg_exo -38.31 148.14 0.1 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 121.46 1.44 . . . . 0.0 111.307 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.2 t-20 -124.88 -56.43 1.57 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.418 -0.801 . . . . 0.0 109.018 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.04 125.38 33.39 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.7 t -81.69 108.5 15.29 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.796 -1.161 . . . . 0.0 107.936 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -81.6 135.92 35.56 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.5 0.667 . . . . 0.0 109.558 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' B' ' 78' ' ' THR . 15.3 t -91.8 113.03 57.55 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -93.84 -46.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.607 1.538 . . . . 0.0 114.033 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -121.21 -45.76 2.33 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.9 p90 -60.02 -55.82 29.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.368 -1.457 . . . . 0.0 112.083 -176.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.7 t-20 -78.59 -39.66 36.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.18 -1.575 . . . . 0.0 109.676 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -60.01 -47.55 85.37 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.0 109.022 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.134 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.3 p -68.57 -39.94 80.79 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.04 -1.037 . . . . 0.0 109.26 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -61.49 -40.04 93.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.088 -1.008 . . . . 0.0 109.149 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.933 -1.104 . . . . 0.0 108.103 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.17 96.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.486 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.8 t90 -60.0 -49.93 75.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.45 -0.781 . . . . 0.0 109.289 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.18 -40.03 95.25 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.249 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.32 -41.46 98.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.08 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -60.01 -42.82 95.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.614 -1.304 . . . . 0.0 109.242 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.16 -42.24 89.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.226 -0.921 . . . . 0.0 108.792 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.35 -40.19 93.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 0.0 110.747 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -68.94 -40.07 79.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.703 -1.248 . . . . 0.0 109.408 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.16 -40.01 78.43 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.108 -0.995 . . . . 0.0 108.507 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.78 -46.77 89.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.782 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -40.98 92.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.958 -1.089 . . . . 0.0 109.703 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.562 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 51.6 t-20 -66.16 -41.09 90.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.55 -40.18 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.023 -1.048 . . . . 0.0 109.378 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.626 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.76 80.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.0 109.837 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.65 -40.45 96.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.086 -1.009 . . . . 0.0 109.479 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.41 -44.99 96.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.076 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -48.36 82.01 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.185 -0.947 . . . . 0.0 108.922 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.17 -40.64 96.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.418 -0.801 . . . . 0.0 109.703 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.27 97.55 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.274 -0.891 . . . . 0.0 109.236 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.0 -49.71 76.61 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.1 -1.0 . . . . 0.0 109.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.96 -49.99 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.434 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.92 -40.66 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -59.94 -50.04 75.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.245 -0.909 . . . . 0.0 109.516 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.38 -42.28 95.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.185 -0.947 . . . . 0.0 109.367 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.73 -42.18 96.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.34 -0.85 . . . . 0.0 109.79 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -62.95 -42.29 99.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.076 -1.015 . . . . 0.0 108.973 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.8 -40.01 83.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.29 -0.881 . . . . 0.0 108.873 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.94 -48.76 80.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.48 -0.762 . . . . 0.0 109.311 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.42 -40.05 89.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.885 . . . . 0.0 109.518 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.12 -41.81 93.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 109.738 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.4 mt-30 -60.21 -41.43 93.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 0.0 109.829 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -60.1 -39.71 87.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.94 -46.95 86.75 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -126.22 61.84 1.28 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.01 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.33 0.585 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.59 145.35 47.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.0 109.777 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -88.93 61.52 5.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.878 . . . . 0.0 109.145 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.99 -40.06 96.61 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -59.95 -45.06 93.87 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.315 -0.866 . . . . 0.0 109.229 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.54 -41.31 94.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.214 -0.928 . . . . 0.0 109.192 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.35 -39.93 88.93 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.53 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.15 88.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.175 -0.953 . . . . 0.0 108.945 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.56 -44.96 56.29 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -1.107 . . . . 0.0 109.513 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.13 -44.45 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.031 -1.043 . . . . 0.0 108.827 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.79 -39.97 93.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 109.541 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.34 -41.88 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 109.244 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -61.14 -41.56 96.96 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -43.59 94.97 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.203 -0.935 . . . . 0.0 109.257 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.12 -40.06 94.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.377 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.92 -42.08 95.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.081 -1.012 . . . . 0.0 109.013 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.23 -43.06 96.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.145 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.0 -48.92 79.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.168 -0.958 . . . . 0.0 109.878 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.05 -40.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.975 -1.078 . . . . 0.0 109.328 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -44.71 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.31 -0.868 . . . . 0.0 108.911 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.81 -40.93 96.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.512 -0.743 . . . . 0.0 109.171 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.587 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 44.5 mtt-85 -61.56 -39.99 93.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.864 . . . . 0.0 109.795 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.07 -40.06 88.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 109.155 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.96 -45.02 94.01 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.154 -0.967 . . . . 0.0 109.483 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.52 -40.24 89.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.931 -1.105 . . . . 0.0 109.401 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.61 -40.12 95.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.265 -0.897 . . . . 0.0 108.968 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.23 -39.97 88.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.48 -0.763 . . . . 0.0 109.243 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -59.97 -40.88 90.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.391 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.542 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.7 mt -62.9 -40.08 96.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -64.81 -40.06 94.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 109.481 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.13 -40.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.89 . . . . 0.0 109.256 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -60.0 -41.75 92.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.533 -0.73 . . . . 0.0 109.522 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -46.54 93.98 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.21 -50.0 75.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.045 -1.268 . . . . 0.0 109.894 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -61.64 -39.98 93.25 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.0 109.403 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.338 -0.851 . . . . 0.0 109.377 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.812 -1.18 . . . . 0.0 108.206 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.259 -0.901 . . . . 0.0 109.632 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.427 ' O ' ' OG1' ' C' ' 43' ' ' THR . 47.7 p -59.96 -40.21 88.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.843 -1.161 . . . . 0.0 108.957 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.541 HH22 ' CG ' ' A' ' 82' ' ' ASN . 50.0 mtt-85 -64.07 -40.0 95.31 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.8 -41.48 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.532 -0.73 . . . . 0.0 109.412 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' C' ' 40' ' ' THR . 54.5 p -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.998 -1.064 . . . . 0.0 109.636 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.95 78.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.438 -1.414 . . . . 0.0 108.522 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.417 HG22 HD11 ' C' ' 45' ' ' ILE . 96.8 mt -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.597 -0.689 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.757 -1.214 . . . . 0.0 108.058 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.04 -46.32 89.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.385 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -65.44 -40.02 92.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.0 109.689 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.02 -39.75 86.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.01 -39.77 86.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.848 -1.158 . . . . 0.0 107.948 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.128 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.77 -40.06 86.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.807 -1.183 . . . . 0.0 109.024 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' C' ' 72' ' ' TRP . . . -58.93 -36.97 75.65 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.966 -1.084 . . . . 0.0 108.524 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.02 -39.95 87.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.201 -0.937 . . . . 0.0 108.53 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -73.43 109.49 6.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.048 . . . . 0.0 108.598 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.2 m120 -133.64 -62.71 0.77 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.79 111.42 3.03 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.514 ' C ' ' H ' ' C' ' 60' ' ' ALA . 44.0 m95 -131.54 150.1 52.27 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.448 -0.782 . . . . 0.0 110.205 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.01 7.17 0.7 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -77.61 24.03 0.22 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.267 -1.137 . . . . 0.0 109.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.34 109.83 2.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.124 -0.985 . . . . 0.0 110.281 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.04 13.11 29.64 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.243 -0.91 . . . . 0.0 110.014 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 62.7 mtp180 -120.02 22.33 11.5 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.572 ' N ' HE21 ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.21 151.82 33.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -107.54 60.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.107 -0.995 . . . . 0.0 109.27 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 158.09 43.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.41 133.05 50.0 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.3 t -97.5 120.13 37.31 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -115.53 122.15 44.82 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.414 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 42.3 t -128.72 85.34 60.52 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.367 -0.833 . . . . 0.0 109.304 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.19 64.2 5.13 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.759 2.306 . . . . 0.0 111.864 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' C' ' 73' ' ' PRO . 17.2 t90 -70.07 131.51 88.9 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.424 ' C ' ' O ' ' C' ' 72' ' ' TRP . 72.9 Cg_exo -38.35 148.25 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.236 0 C-N-CA 121.445 1.43 . . . . 0.0 111.233 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.2 t-20 -124.97 -56.84 1.55 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.0 108.991 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.96 125.02 33.06 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -81.37 108.44 14.98 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.052 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.6 mt -81.43 135.92 35.66 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.615 0.721 . . . . 0.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' C' ' 78' ' ' THR . 15.4 t -91.82 112.96 57.27 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.82 -46.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.615 1.543 . . . . 0.0 113.985 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -121.25 -45.84 2.32 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.674 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.6 p90 -60.01 -55.74 30.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.281 -1.512 . . . . 0.0 112.097 -176.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.674 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 7.5 t-20 -78.64 -39.66 36.4 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.072 -1.642 . . . . 0.0 109.678 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.98 -47.57 85.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.132 -0.98 . . . . 0.0 109.159 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -43.76 95.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 109.119 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 76.2 p -68.41 -39.95 81.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.146 -0.971 . . . . 0.0 109.17 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -61.58 -39.98 93.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.13 -0.981 . . . . 0.0 109.166 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -42.33 94.07 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.907 -1.121 . . . . 0.0 108.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.1 96.14 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.518 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.5 t90 -59.94 -49.95 75.67 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.24 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.55 -40.03 94.84 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.183 -0.948 . . . . 0.0 109.214 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.24 -41.44 98.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.145 -0.972 . . . . 0.0 110.17 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -60.07 -42.4 94.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.653 -1.279 . . . . 0.0 109.235 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.55 -42.61 92.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.184 -0.947 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.79 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.53 -39.96 80.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.833 -1.167 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.28 -39.98 78.03 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.529 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -46.2 91.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.353 -0.842 . . . . 0.0 109.784 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.23 -40.8 90.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.65 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.602 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 51.5 t-20 -66.33 -41.06 90.16 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.795 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.54 -40.01 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.425 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.1 p -62.71 -39.97 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.04 . . . . 0.0 109.631 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.96 79.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.65 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.096 -1.002 . . . . 0.0 109.588 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.68 -45.28 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.967 -1.083 . . . . 0.0 108.954 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.05 83.32 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.195 -0.941 . . . . 0.0 108.933 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.567 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.45 97.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 109.226 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.09 -49.47 77.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.189 -0.944 . . . . 0.0 109.215 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.408 HD11 HG22 ' C' ' 109' ' ' ILE . 97.0 mt -60.07 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.9 -40.65 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 0.0 109.588 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.03 -50.0 75.44 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.165 -0.959 . . . . 0.0 109.419 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.33 -42.54 95.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.118 -0.989 . . . . 0.0 109.292 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.46 -42.42 96.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 0.0 109.777 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -62.52 -42.52 99.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.118 -0.989 . . . . 0.0 109.111 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.82 -39.95 83.86 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.437 -0.789 . . . . 0.0 109.365 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.31 -39.99 88.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.311 -0.868 . . . . 0.0 109.639 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.17 -41.83 93.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.5 mt-30 -59.99 -41.68 92.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.89 . . . . 0.0 109.973 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.0 -38.88 83.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.211 -0.93 . . . . 0.0 109.603 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.78 -46.98 87.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.23 62.03 1.27 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.107 -0.996 . . . . 0.0 109.025 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.411 0.625 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.522 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 77.7 mt-30 -68.5 143.32 55.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.379 -0.825 . . . . 0.0 109.549 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -91.2 59.87 4.08 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -0.865 . . . . 0.0 109.577 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.522 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 51.0 mtt-85 -64.95 -40.04 94.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.568 -0.708 . . . . 0.0 109.345 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.8 t -60.34 -41.37 93.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.266 -0.896 . . . . 0.0 109.32 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' A' ' 5' ' ' THR . 58.9 tp -60.1 -43.68 95.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.22 -0.925 . . . . 0.0 108.561 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.62 -40.05 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.6 -0.688 . . . . 0.0 109.5 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.7 92.49 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.03 89.61 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.849 -1.701 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.22 -46.82 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -1.093 . . . . 0.0 109.058 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.05 -46.48 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.59 -38.32 87.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.346 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -59.93 -41.8 92.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 109.224 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -63.02 -40.18 96.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.992 -1.068 . . . . 0.0 109.11 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.46 -40.27 90.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.347 -0.846 . . . . 0.0 109.833 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -66.72 -40.0 88.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.814 -1.179 . . . . 0.0 109.515 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.27 -41.35 99.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD2' ' NE2' ' A' ' 108' ' ' GLN . 50.9 tp -60.28 -43.1 96.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.387 -0.821 . . . . 0.0 109.547 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.0 -45.32 93.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -40.19 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 110.015 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.17 -42.03 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 108.746 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.01 -40.75 94.74 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.34 0.59 . . . . 0.0 109.596 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.683 ' NH1' HD21 ' B' ' 99' ' ' ASN . 31.3 mmt180 -60.44 -40.32 90.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.509 -0.745 . . . . 0.0 109.264 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.92 -40.05 87.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.319 -0.863 . . . . 0.0 109.033 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.85 -48.96 79.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.779 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.72 -40.5 96.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.602 -1.311 . . . . 0.0 109.274 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.06 -41.4 96.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.209 -0.932 . . . . 0.0 109.313 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.22 -41.01 92.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.479 -0.763 . . . . 0.0 109.712 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' A' ' 29' ' ' ARG . 42.6 mtt-85 -60.23 -39.87 88.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.953 -1.092 . . . . 0.0 109.249 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.494 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.0 mt -61.49 -40.04 93.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -65.64 -40.05 92.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.05 -1.031 . . . . 0.0 109.865 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.77 -40.13 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.145 -0.972 . . . . 0.0 108.926 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -60.05 -42.82 95.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.477 -0.764 . . . . 0.0 110.354 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.83 93.47 Favored Glycine 0 N--CA 1.486 2.024 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.105 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -60.26 -49.99 75.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.075 -1.25 . . . . 0.0 109.913 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -60.05 -39.87 87.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.023 -1.048 . . . . 0.0 109.698 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.62 -40.09 86.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.438 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.0 88.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.949 -1.094 . . . . 0.0 108.735 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.395 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 43' ' ' THR . 69.8 p -59.92 -40.83 90.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.925 -1.11 . . . . 0.0 108.708 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.688 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.9 mtt-85 -67.35 -39.76 85.76 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.05 -41.05 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.016 -1.053 . . . . 0.0 108.741 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 40' ' ' THR . 70.9 p -59.94 -41.01 90.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.815 -1.178 . . . . 0.0 109.196 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.1 96.98 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.936 -1.102 . . . . 0.0 108.454 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 45' ' ' ILE . 81.8 mt -61.07 -40.2 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.676 -0.64 . . . . 0.0 110.133 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -60.2 -40.31 89.6 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 109.026 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.55 -42.01 98.21 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.301 -0.874 . . . . 0.0 110.808 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CE1' ' O ' ' B' ' 74' ' ' ASN . 63.3 m-85 -68.08 -38.43 82.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.057 -1.027 . . . . 0.0 109.579 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.94 -39.79 86.72 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.737 -1.227 . . . . 0.0 108.42 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.57 -38.51 81.33 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.382 -1.449 . . . . 0.0 108.159 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -63.09 -26.93 69.06 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.64 ' NE2' HD22 ' A' ' 74' ' ' ASN . 6.5 tt0 -59.92 -43.26 95.01 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.17 79.86 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.501 -0.75 . . . . 0.0 109.908 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -80.08 112.44 17.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.946 -1.096 . . . . 0.0 109.164 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.15 -72.12 0.51 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.364 -0.835 . . . . 0.0 109.214 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.2 94.3 2.29 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' A' ' 60' ' ' ALA . 52.2 m95 -112.67 145.31 40.67 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.576 -0.702 . . . . 0.0 110.927 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.29 0.6 4.69 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -73.89 24.84 0.07 Allowed 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.421 -1.046 . . . . 0.0 108.975 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.543 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.72 112.45 3.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.096 -1.002 . . . . 0.0 109.651 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -114.27 12.03 17.56 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.495 -0.753 . . . . 0.0 110.504 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' C' ' 62' ' ' PHE . 10.7 ptp180 -121.06 21.75 11.2 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -144.18 151.05 38.97 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.1 58.66 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.035 -1.04 . . . . 0.0 108.55 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.91 158.1 42.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.47 -0.769 . . . . 0.0 109.604 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -127.15 133.65 50.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 t -98.64 119.71 37.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.136 -0.978 . . . . 0.0 111.111 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -116.64 119.28 35.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 84.3 t -122.45 93.07 48.75 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.436 -0.79 . . . . 0.0 109.15 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -87.01 62.71 4.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.765 2.31 . . . . 0.0 112.325 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 33.2 t90 -70.1 130.66 89.48 Favored Pre-proline 0 N--CA 1.493 1.706 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 97.5 Cg_exo -38.32 147.63 0.11 Allowed 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.418 1.412 . . . . 0.0 112.066 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.64 HD22 ' NE2' ' A' ' 52' ' ' GLN . 65.4 t30 -130.7 -58.76 1.03 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.73 123.78 32.26 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.72 109.53 16.96 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.13 136.44 35.9 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.444 0.64 . . . . 0.0 109.394 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 78' ' ' THR . 12.4 t -93.16 112.96 58.58 Favored Pre-proline 0 N--CA 1.494 1.732 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -94.61 -47.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.976 0 C-N-CA 121.647 1.565 . . . . 0.0 114.541 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.06 -44.39 2.41 Favored 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.97 -49.93 75.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.28 -1.513 . . . . 0.0 112.605 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.664 ' ND2' HH21 ' C' ' 41' ' ' ARG . 61.1 t30 -71.02 -41.09 71.33 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.009 -1.682 . . . . 0.0 110.595 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -59.94 -49.96 75.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.0 . . . . 0.0 110.156 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.0 -44.91 94.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.955 -1.091 . . . . 0.0 109.155 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -70.03 -40.07 75.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.132 -0.98 . . . . 0.0 109.911 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 42.8 t-105 -67.45 -39.97 85.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.028 -1.045 . . . . 0.0 109.301 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.01 -40.73 90.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.678 -1.264 . . . . 0.0 108.571 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.25 -41.08 96.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.04 -1.038 . . . . 0.0 108.505 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.522 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.6 t90 -60.08 -50.11 74.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.496 -0.752 . . . . 0.0 109.197 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.33 -41.22 98.37 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.825 . . . . 0.0 109.373 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -63.28 -40.29 96.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.487 -0.758 . . . . 0.0 110.192 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.36 -40.86 92.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.82 -1.175 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.26 -40.98 91.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -60.64 -44.68 96.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -66.89 -40.28 87.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.93 -1.106 . . . . 0.0 109.48 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.17 -40.35 86.59 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.27 -49.28 78.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 108.941 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.06 -42.22 98.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.466 -0.771 . . . . 0.0 109.661 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.677 HD21 ' NH1' ' C' ' 23' ' ' ARG . 96.6 m-20 -62.33 -40.12 95.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.034 -1.041 . . . . 0.0 109.391 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.23 -41.38 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.114 -0.991 . . . . 0.0 109.272 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -62.49 -41.28 98.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.03 -1.044 . . . . 0.0 109.105 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.59 81.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.403 -0.81 . . . . 0.0 109.005 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -47.13 87.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.43 -0.794 . . . . 0.0 109.761 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.99 -41.96 93.19 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.356 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.12 -48.86 79.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 109.181 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 -41.87 96.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.518 -0.739 . . . . 0.0 109.591 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.17 93.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.005 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.469 ' NE2' ' CD2' ' A' ' 18' ' ' LEU . 48.4 mm-40 -59.97 -46.9 87.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.053 -1.029 . . . . 0.0 109.401 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.17 -49.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.189 -0.944 . . . . 0.0 109.571 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.96 -40.32 83.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.86 . . . . 0.0 109.976 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -60.03 -49.16 78.76 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.78 -40.53 97.59 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.12 -0.987 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.11 -40.06 96.53 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.014 -1.054 . . . . 0.0 109.648 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -67.57 -40.1 84.88 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.977 -1.077 . . . . 0.0 109.385 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.81 -39.88 76.28 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.089 -1.007 . . . . 0.0 108.645 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.06 -48.2 82.69 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.29 -40.25 93.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.187 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -41.64 92.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.241 -0.912 . . . . 0.0 109.603 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.0 mt-30 -61.0 -42.46 98.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -60.29 -40.03 89.03 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.0 109.367 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 99.5 mt -59.45 -49.11 79.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -116.48 58.86 0.75 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.655 -0.653 . . . . 0.0 109.292 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.128 . . . . 0.0 109.007 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.323 0.582 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.542 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 77.8 mt-30 -68.57 143.22 54.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.526 -0.734 . . . . 0.0 109.606 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -90.88 59.89 4.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.076 -1.015 . . . . 0.0 109.58 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.542 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 49.7 mtt-85 -64.81 -40.09 94.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.627 -0.67 . . . . 0.0 109.335 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.6 t -60.34 -41.61 93.97 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.293 -0.88 . . . . 0.0 109.407 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' B' ' 5' ' ' THR . 58.9 tp -59.98 -43.94 94.82 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.57 -40.19 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.45 -0.781 . . . . 0.0 109.457 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.46 90.43 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.932 -1.105 . . . . 0.0 108.308 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.21 -44.68 90.44 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 10' ' ' ILE . 86.6 mt -60.36 -46.52 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -1.033 . . . . 0.0 109.107 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.05 -46.68 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.012 -1.055 . . . . 0.0 108.766 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.83 -38.23 87.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.609 -0.682 . . . . 0.0 109.207 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -59.99 -41.85 92.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.157 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.03 -40.03 96.52 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.899 -1.126 . . . . 0.0 109.042 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.32 -40.25 89.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 109.836 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -66.85 -40.07 87.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.279 -0.888 . . . . 0.0 109.42 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.36 -41.34 98.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.303 -0.873 . . . . 0.0 109.328 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.459 ' CD2' ' NE2' ' B' ' 108' ' ' GLN . 49.6 tp -60.12 -43.35 95.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 109.804 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.87 -45.32 92.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.893 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.95 -40.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.992 . . . . 0.0 109.88 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.19 -41.65 87.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.246 -0.909 . . . . 0.0 108.926 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 61.0 tttp -61.02 -40.96 95.55 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.379 0.609 . . . . 0.0 109.508 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.645 ' NH1' HD21 ' C' ' 99' ' ' ASN . 31.3 mmt180 -60.39 -40.06 89.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.356 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.92 -40.09 87.68 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.973 . . . . 0.0 109.137 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.97 -48.61 80.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.759 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 4.9 mp0 -63.9 -40.17 95.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.688 -1.257 . . . . 0.0 109.277 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.25 -41.34 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.373 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.32 -40.75 91.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.465 -0.772 . . . . 0.0 109.919 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' B' ' 29' ' ' ARG . 42.9 mtt-85 -59.99 -40.21 88.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.952 . . . . 0.0 109.439 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.466 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.819 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.9 p -65.5 -39.99 92.53 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.095 -1.003 . . . . 0.0 109.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.95 -40.09 84.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.329 -0.857 . . . . 0.0 108.942 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -60.09 -42.77 95.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.507 -0.746 . . . . 0.0 110.312 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.78 93.54 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.296 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -60.63 -49.93 75.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.947 -1.325 . . . . 0.0 109.751 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -60.06 -39.6 86.57 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.028 -1.045 . . . . 0.0 109.721 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.02 -40.04 87.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.1 -40.14 88.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.051 -1.031 . . . . 0.0 108.731 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 0.0 109.64 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.411 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.0 p -60.01 -40.38 89.06 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.866 -1.147 . . . . 0.0 108.503 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.692 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -67.28 -39.84 86.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.261 -0.899 . . . . 0.0 108.86 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.06 -40.83 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.264 -0.897 . . . . 0.0 108.86 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 40' ' ' THR . 69.6 p -60.09 -40.95 91.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.827 -1.17 . . . . 0.0 109.139 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.55 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.22 -40.06 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.31 -39.95 88.82 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.251 -0.906 . . . . 0.0 109.108 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' C' ' 74' ' ' ASN . 63.9 m-85 -67.27 -38.85 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.037 -1.04 . . . . 0.0 109.63 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.91 -39.1 84.24 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.677 -1.264 . . . . 0.0 108.557 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.85 -38.47 82.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.504 -1.373 . . . . 0.0 108.199 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.57 -26.92 68.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.648 ' NE2' HD22 ' B' ' 74' ' ' ASN . 6.5 tt0 -59.94 -43.74 94.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.89 78.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.907 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -79.95 112.85 17.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.591 -1.318 . . . . 0.0 109.166 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.6 m120 -133.24 -72.28 0.51 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.328 -0.857 . . . . 0.0 109.231 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.15 93.91 2.24 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.427 ' C ' ' H ' ' B' ' 60' ' ' ALA . 50.9 m95 -112.39 145.51 39.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.501 -0.75 . . . . 0.0 110.86 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.8 1.16 4.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -74.32 25.14 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.304 -1.115 . . . . 0.0 108.957 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.539 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.31 112.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.234 -0.916 . . . . 0.0 109.824 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -114.25 12.1 17.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.619 -0.675 . . . . 0.0 110.432 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -120.64 21.13 11.63 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -143.43 151.48 40.41 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -107.06 58.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 120.97 -1.081 . . . . 0.0 108.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.72 158.08 42.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.559 -0.713 . . . . 0.0 109.622 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -126.84 133.62 50.71 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -98.75 119.67 37.89 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.169 -0.957 . . . . 0.0 111.104 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -116.52 119.14 34.64 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.415 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 89.7 t -121.97 93.38 48.63 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.492 -0.755 . . . . 0.0 109.086 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -87.08 62.24 4.14 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.596 2.197 . . . . 0.0 112.605 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 30.4 t90 -69.84 130.15 90.4 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 99.9 Cg_exo -38.18 147.66 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.236 0 C-N-CA 121.426 1.417 . . . . 0.0 112.114 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.648 HD22 ' NE2' ' B' ' 52' ' ' GLN . 65.4 t30 -130.52 -59.5 1.02 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.38 124.03 32.28 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.86 109.71 17.22 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.74 -1.225 . . . . 0.0 107.723 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.05 136.34 35.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' B' ' 78' ' ' THR . 12.4 t -93.08 113.09 58.93 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.554 -0.716 . . . . 0.0 109.078 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -94.41 -48.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.596 1.531 . . . . 0.0 114.468 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.17 -44.36 2.39 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.5 p90 -59.92 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.119 -1.613 . . . . 0.0 112.451 -175.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.688 ' ND2' HH21 ' A' ' 41' ' ' ARG . 61.9 t30 -70.92 -41.04 71.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.272 -1.518 . . . . 0.0 110.654 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.03 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.197 -0.939 . . . . 0.0 110.083 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.766 -1.209 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 81.5 p -70.03 -39.73 75.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 109.779 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.412 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 43.4 t-105 -67.79 -39.95 84.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.913 -1.117 . . . . 0.0 109.417 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -40.16 88.95 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.642 -1.286 . . . . 0.0 108.648 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.81 -41.19 97.46 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.098 -1.001 . . . . 0.0 108.471 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.494 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.5 t90 -60.17 -49.97 75.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.441 -0.787 . . . . 0.0 109.073 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.95 -41.74 98.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.488 -0.758 . . . . 0.0 109.274 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.75 -40.32 96.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 110.201 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.7 -40.53 92.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.82 -1.175 . . . . 0.0 109.105 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.73 -40.4 88.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.19 -43.92 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.389 -0.819 . . . . 0.0 110.718 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.732 -1.23 . . . . 0.0 109.676 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.82 -40.52 83.81 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.169 -0.957 . . . . 0.0 108.827 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -49.66 76.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.267 -0.896 . . . . 0.0 108.93 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.52 -42.47 96.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.481 -0.762 . . . . 0.0 109.784 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.683 HD21 ' NH1' ' A' ' 23' ' ' ARG . 96.6 m-20 -61.88 -40.23 94.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.185 -0.947 . . . . 0.0 109.572 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.14 -41.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.243 -0.91 . . . . 0.0 109.277 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -62.06 -41.68 98.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.194 -0.941 . . . . 0.0 109.16 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.09 83.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.863 . . . . 0.0 109.292 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.14 -47.52 85.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.494 -0.754 . . . . 0.0 109.653 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.218 -0.926 . . . . 0.0 109.261 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.2 -49.48 77.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.255 -0.903 . . . . 0.0 109.13 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.12 -41.46 92.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.573 -0.704 . . . . 0.0 109.664 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.4 -45.07 94.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.358 -0.839 . . . . 0.0 109.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.459 ' NE2' ' CD2' ' B' ' 18' ' ' LEU . 47.0 mm-40 -60.03 -46.92 87.9 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.03 -1.044 . . . . 0.0 109.374 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.14 -49.8 82.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.29 -0.882 . . . . 0.0 109.59 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.23 -40.04 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 109.935 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.25 -49.32 78.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.883 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.91 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -62.69 -40.0 95.75 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.0 109.798 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -67.68 -40.2 84.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.922 -1.111 . . . . 0.0 109.502 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.67 -39.8 76.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 108.661 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.23 -48.36 82.06 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -40.14 92.75 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.12 -42.24 94.35 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.41 -0.806 . . . . 0.0 109.804 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.3 mt-30 -60.68 -42.48 97.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.094 -1.004 . . . . 0.0 109.732 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.23 -39.89 88.28 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.233 -0.917 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.8 mt -59.57 -49.38 77.98 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.38 58.6 0.75 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.697 -0.627 . . . . 0.0 109.495 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.288 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.447 0.642 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.534 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 78.3 mt-30 -69.16 143.54 54.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.285 -0.884 . . . . 0.0 109.543 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -91.07 59.85 4.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.534 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 50.1 mtt-85 -65.04 -40.06 94.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.392 -0.818 . . . . 0.0 109.398 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.8 t -60.1 -41.25 92.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.2 tp -59.98 -43.99 94.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.227 -0.921 . . . . 0.0 108.559 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.31 -39.87 88.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.591 -0.693 . . . . 0.0 109.625 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.63 92.36 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.43 -44.71 89.74 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.25 -46.93 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.535 -0.979 . . . . 0.0 109.217 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.88 -47.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.78 -38.59 85.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.463 -0.773 . . . . 0.0 109.359 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -59.84 -41.78 92.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.306 -0.871 . . . . 0.0 109.386 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.22 -40.03 96.31 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.921 -1.112 . . . . 0.0 109.11 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.47 -40.31 90.75 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.247 -0.908 . . . . 0.0 109.7 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -66.53 -40.06 88.94 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.0 109.605 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.4 -41.58 98.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.47 ' CD2' ' NE2' ' C' ' 108' ' ' GLN . 50.9 tp -60.24 -43.63 95.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.407 -0.808 . . . . 0.0 109.398 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.86 -44.5 94.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 109.939 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.58 -40.28 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.12 -41.88 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.201 -0.937 . . . . 0.0 108.82 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.15 -40.79 95.17 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.362 0.601 . . . . 0.0 109.558 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.677 ' NH1' HD21 ' A' ' 99' ' ' ASN . 31.2 mmt180 -60.08 -40.11 88.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.392 -0.818 . . . . 0.0 109.165 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.1 -39.88 87.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.353 -0.842 . . . . 0.0 109.147 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.11 -48.67 80.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.408 -0.807 . . . . 0.0 109.711 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -64.01 -40.24 95.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.609 -1.307 . . . . 0.0 109.419 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -61.24 -41.36 96.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.37 -0.831 . . . . 0.0 109.186 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.47 -40.83 92.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.537 -0.727 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' C' ' 29' ' ' ARG . 42.0 mtt-85 -60.1 -39.91 87.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.051 . . . . 0.0 109.404 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.522 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.3 mt -61.47 -40.11 93.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.945 . . . . 0.0 109.652 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -65.63 -40.39 92.5 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 109.723 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.56 -40.17 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.201 -0.937 . . . . 0.0 109.062 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -60.11 -42.8 95.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.76 . . . . 0.0 110.263 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -47.32 91.53 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.29 -50.03 75.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.309 . . . . 0.0 109.838 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -60.17 -39.26 85.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 109.676 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.025 . . . . 0.0 109.284 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.14 -40.08 88.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.973 -1.079 . . . . 0.0 108.874 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.12 -40.05 88.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.119 -0.988 . . . . 0.0 109.378 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' C' ' 43' ' ' THR . 70.3 p -60.19 -40.23 89.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.767 -1.208 . . . . 0.0 108.649 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.664 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.6 mtt-85 -67.52 -39.79 85.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 108.673 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -41.05 84.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.275 -0.89 . . . . 0.0 108.669 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 40' ' ' THR . 71.8 p -60.05 -40.75 90.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.814 -1.179 . . . . 0.0 109.261 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.07 96.23 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.94 -40.28 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.726 -0.609 . . . . 0.0 110.258 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.08 -39.93 87.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.114 -0.991 . . . . 0.0 108.999 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.21 -42.49 99.34 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.902 . . . . 0.0 110.394 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 74' ' ' ASN . 63.6 m-85 -67.46 -38.48 84.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.002 -1.061 . . . . 0.0 109.665 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.1 -39.45 86.21 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.77 -1.206 . . . . 0.0 108.358 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.98 -38.48 82.66 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.428 -1.42 . . . . 0.0 107.968 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -63.41 -26.6 68.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 6.4 tt0 -59.95 -43.4 95.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.98 79.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.86 -40.08 87.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.461 -0.775 . . . . 0.0 109.919 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -80.15 112.7 17.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.814 -1.179 . . . . 0.0 109.114 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.5 m120 -133.23 -72.25 0.51 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.866 . . . . 0.0 109.111 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 94.22 2.28 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.436 ' C ' ' H ' ' C' ' 60' ' ' ALA . 52.3 m95 -112.51 144.86 41.27 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.39 0.87 5.07 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -73.69 24.92 0.07 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.433 -1.039 . . . . 0.0 108.97 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.05 112.08 3.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.917 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . 0.415 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 34.4 m-85 -113.95 11.75 17.89 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.73 -0.606 . . . . 0.0 110.592 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.402 ' HB3' HH22 ' A' ' 63' ' ' ARG . 10.7 ptp180 -120.67 21.6 11.46 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -143.9 151.19 39.5 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -107.2 58.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.063 -1.023 . . . . 0.0 108.505 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.76 157.92 42.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.603 -0.686 . . . . 0.0 109.847 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -127.2 133.37 50.29 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 5.2 t -98.36 119.85 37.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.231 -0.918 . . . . 0.0 111.125 -177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -116.79 119.04 34.17 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 85.1 t -122.03 93.01 48.8 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.9 62.62 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.252 0 C-N-CA 122.41 2.073 . . . . 0.0 112.452 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.7 t90 -69.97 130.47 89.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 108.771 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' C' ' 72' ' ' TRP . 95.1 Cg_exo -38.32 147.59 0.11 Allowed 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 121.35 1.367 . . . . 0.0 112.112 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.636 ' ND2' ' NE2' ' C' ' 52' ' ' GLN . 65.3 t30 -130.49 -59.26 1.03 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.49 123.86 32.17 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.64 109.61 16.97 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 118.853 -1.139 . . . . 0.0 107.947 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -81.02 136.12 35.94 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.573 0.702 . . . . 0.0 109.424 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' C' ' 78' ' ' THR . 12.7 t -92.77 113.14 58.78 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 109.214 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -94.2 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.02 0 C-N-CA 121.555 1.503 . . . . 0.0 114.548 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.23 -44.51 2.38 Favored 'General case' 0 N--CA 1.507 2.413 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.5 p90 -59.86 -50.12 75.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.117 -1.614 . . . . 0.0 112.472 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.692 ' ND2' HH21 ' B' ' 41' ' ' ARG . 62.1 t30 -71.03 -40.46 71.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.041 -1.662 . . . . 0.0 110.681 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.043 -1.036 . . . . 0.0 110.262 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.997 -1.064 . . . . 0.0 109.009 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 81.5 p -69.99 -39.97 75.6 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.261 -0.899 . . . . 0.0 110.069 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.426 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 43.6 t-105 -67.45 -39.92 85.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.884 -1.135 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -60.19 -40.05 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.681 -1.262 . . . . 0.0 108.606 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.87 -40.85 96.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 108.443 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.466 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.3 t90 -60.18 -49.88 75.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.36 -0.838 . . . . 0.0 109.1 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.24 -41.97 98.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.393 -0.817 . . . . 0.0 109.229 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.905 . . . . 0.0 110.237 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.09 -41.26 92.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.92 -40.81 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.75 -44.29 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.499 -0.751 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -67.21 -40.04 86.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.812 -1.18 . . . . 0.0 109.604 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.93 -40.13 83.4 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 108.941 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.33 -49.21 78.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.314 -0.866 . . . . 0.0 109.121 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.13 -42.33 98.35 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.358 -0.839 . . . . 0.0 109.528 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.645 HD21 ' NH1' ' B' ' 23' ' ' ARG . 96.7 m-20 -61.96 -40.53 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.73 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.324 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 70.2 p -62.14 -41.79 98.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.48 81.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.332 -0.855 . . . . 0.0 109.171 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.05 -47.34 86.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.496 -0.753 . . . . 0.0 109.529 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.97 -41.96 93.12 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.225 -0.922 . . . . 0.0 109.354 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 -48.78 80.26 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.187 -0.946 . . . . 0.0 109.288 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.56 -41.94 95.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.429 -0.795 . . . . 0.0 109.305 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.94 94.6 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.374 -0.829 . . . . 0.0 109.296 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . 0.47 ' NE2' ' CD2' ' C' ' 18' ' ' LEU . 47.3 mm-40 -60.05 -46.61 88.95 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.129 . . . . 0.0 109.502 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.21 -49.7 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.203 -0.935 . . . . 0.0 109.518 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -68.56 -40.23 80.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.254 -0.903 . . . . 0.0 109.79 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -60.08 -49.19 78.61 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.155 -0.966 . . . . 0.0 109.326 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.27 -41.08 98.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.911 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -62.87 -39.99 96.12 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.552 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.66 -40.24 84.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.887 -1.133 . . . . 0.0 109.502 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.8 -40.06 76.2 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 108.617 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -59.88 -48.61 80.99 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -40.33 92.24 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.221 -0.925 . . . . 0.0 109.434 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -41.71 92.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.397 -0.814 . . . . 0.0 109.87 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -61.18 -42.35 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.063 -1.023 . . . . 0.0 109.844 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.251 -0.906 . . . . 0.0 109.463 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.82 -48.96 79.59 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.56 58.99 0.75 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.5 p . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.464 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 93.1 mt-30 -70.37 144.75 51.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 109.037 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -89.65 60.67 5.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.069 -1.019 . . . . 0.0 109.194 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -64.01 -39.99 95.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.43 -0.794 . . . . 0.0 109.284 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t -59.94 -42.78 94.75 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.497 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.51 -40.87 89.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.056 -1.028 . . . . 0.0 109.28 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.18 -39.76 87.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.475 -0.765 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.0 86.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.124 -0.985 . . . . 0.0 108.644 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.07 43.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 10' ' ' ILE . 97.3 mt -60.0 -47.73 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.206 -1.173 . . . . 0.0 109.765 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.03 -41.99 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 108.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.73 -40.3 94.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.602 -0.686 . . . . 0.0 109.589 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.05 -41.62 92.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.23 -40.99 92.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.124 -0.985 . . . . 0.0 108.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.73 -42.5 97.41 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.447 -0.783 . . . . 0.0 109.239 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -64.48 -41.19 96.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.279 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.21 -43.58 98.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 109.04 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.05 -43.74 95.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.87 . . . . 0.0 109.064 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 58.6 t0 -60.09 -44.97 94.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 109.544 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.09 -39.94 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.233 -0.917 . . . . 0.0 109.372 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -40.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 108.791 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.0 -43.05 95.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.807 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 11.0 mpt_? -60.06 -40.96 91.27 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.96 . . . . 0.0 109.348 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.26 -39.94 88.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.967 -1.083 . . . . 0.0 109.262 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.03 -47.77 84.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 108.974 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.8 -41.99 99.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.329 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.16 -40.56 90.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.416 -0.803 . . . . 0.0 109.658 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.7 -40.42 92.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.134 -0.978 . . . . 0.0 109.917 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.5 mt -62.75 -40.09 96.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.044 -1.035 . . . . 0.0 109.616 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.1 p -63.65 -40.02 95.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.079 -1.013 . . . . 0.0 109.906 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.21 -40.0 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.281 -0.887 . . . . 0.0 109.136 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -59.98 -43.4 95.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.8 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.28 80.34 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 119.645 -1.264 . . . . 0.0 110.233 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -60.05 -49.98 75.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -1.213 . . . . 0.0 109.949 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.744 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.749 HD22 HH21 ' A' ' 41' ' ' ARG . 41.1 t30 -59.92 -41.53 91.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.52 -39.97 89.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.024 -1.048 . . . . 0.0 109.382 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.96 -41.29 91.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.194 -0.941 . . . . 0.0 109.961 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.6 ' HG1' ' N ' ' A' ' 41' ' ' ARG . 32.1 p -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.761 -1.212 . . . . 0.0 108.116 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.749 HH21 HD22 ' A' ' 37' ' ' ASN . 31.9 mtt-85 -63.68 -40.01 95.75 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -40.15 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.453 -0.779 . . . . 0.0 109.303 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 40' ' ' THR . 79.8 p -60.06 -39.92 87.68 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.989 -1.07 . . . . 0.0 109.077 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.98 85.71 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.784 -1.197 . . . . 0.0 109.709 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 45' ' ' ILE . 86.4 mt -62.77 -41.06 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.243 -0.91 . . . . 0.0 111.248 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.57 -39.06 92.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.597 -1.314 . . . . 0.0 108.444 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.03 -45.15 93.75 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.185 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 49.8 m-85 -65.53 -39.41 91.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.0 -1.062 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.88 -38.51 82.4 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.06 -39.9 87.6 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.05 -39.09 84.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.37 -0.831 . . . . 0.0 109.349 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.654 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.8 OUTLIER -59.95 -39.96 87.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.15 . . . . 0.0 109.102 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.755 -1.216 . . . . 0.0 108.161 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -59.93 -39.74 86.52 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.848 . . . . 0.0 108.963 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -69.46 118.48 12.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.044 -1.035 . . . . 0.0 108.756 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 32.6 m120 -133.63 -64.75 0.7 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.287 -0.883 . . . . 0.0 110.33 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -154.61 118.03 4.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -0.96 . . . . 0.0 110.01 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.76 129.57 46.67 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 63.73 21.77 65.51 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.72 23.45 0.16 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.598 -1.53 . . . . 0.0 108.688 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.22 111.24 2.39 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.443 -0.786 . . . . 0.0 109.202 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CD2' ' NE2' ' B' ' 64' ' ' GLN . 34.1 m-85 -121.38 11.59 10.74 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.368 -0.832 . . . . 0.0 110.358 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.74 25.16 2.18 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.449 ' NE2' ' CD2' ' C' ' 62' ' ' PHE . 31.6 mt-30 -143.66 152.62 41.57 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.75 57.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.0 108.622 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.04 158.14 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.513 -0.742 . . . . 0.0 110.019 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.48 133.61 47.37 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.35 112.93 24.69 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.56 -1.337 . . . . 0.0 110.179 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -112.69 122.0 46.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.501 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 70.0 t -125.44 84.32 60.19 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.581 -0.699 . . . . 0.0 109.582 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.56 63.53 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.498 2.132 . . . . 0.0 110.881 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 25.4 t90 -67.18 133.86 93.51 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.476 -0.765 . . . . 0.0 109.094 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 79.4 Cg_exo -38.8 149.19 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.662 1.575 . . . . 0.0 111.042 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.668 HD22 ' NE2' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -130.3 -60.62 1.0 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.232 -0.917 . . . . 0.0 109.441 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.54 124.59 36.68 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.268 -0.895 . . . . 0.0 108.897 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.41 108.08 14.72 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.88 135.83 36.53 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.766 0.793 . . . . 0.0 110.33 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -90.26 115.21 63.53 Favored Pre-proline 0 N--CA 1.49 1.565 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -92.21 -47.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.691 1.594 . . . . 0.0 113.615 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.12 -44.27 2.29 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.19 93.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.325 -1.485 . . . . 0.0 113.272 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.566 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -76.31 -50.06 15.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.213 -1.555 . . . . 0.0 110.773 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.9 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.058 -1.026 . . . . 0.0 110.223 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.874 -1.141 . . . . 0.0 109.411 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 81' ' ' TRP . 60.7 p -68.89 -40.02 79.42 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.209 -0.932 . . . . 0.0 109.706 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -66.84 -39.91 87.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 109.189 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.0 -41.78 92.82 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.966 -1.084 . . . . 0.0 108.358 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.35 -41.54 97.24 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.951 . . . . 0.0 108.912 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.485 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.3 t90 -59.96 -49.92 75.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.396 -0.815 . . . . 0.0 109.752 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.08 -41.42 96.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.104 -0.998 . . . . 0.0 109.526 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.87 -40.86 96.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.99 -1.069 . . . . 0.0 110.444 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.21 -40.62 90.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.9 -1.125 . . . . 0.0 109.76 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.21 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 108.94 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.9 -47.62 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.432 -0.793 . . . . 0.0 110.201 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -61.69 -40.89 96.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.012 -1.055 . . . . 0.0 109.709 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.41 -40.25 81.33 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.181 -0.949 . . . . 0.0 109.151 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.66 -45.04 95.71 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.219 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.68 -40.46 96.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.26 -0.9 . . . . 0.0 109.446 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.91 -41.76 95.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.248 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.91 -48.03 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.329 -0.857 . . . . 0.0 109.366 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -59.98 -42.64 94.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.05 75.25 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.284 -0.885 . . . . 0.0 109.34 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.41 -44.27 97.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.234 -0.916 . . . . 0.0 109.396 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.8 -42.02 96.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.4 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -50.05 75.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.136 -0.977 . . . . 0.0 109.602 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.73 -42.8 98.04 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.282 -0.886 . . . . 0.0 109.254 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.18 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.387 -0.82 . . . . 0.0 109.754 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.96 -46.27 89.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.01 -49.15 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.235 -0.916 . . . . 0.0 109.303 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.56 -39.98 80.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.196 -0.94 . . . . 0.0 110.233 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.0 -50.06 75.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.099 -1.0 . . . . 0.0 109.993 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.1 -39.92 96.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.64 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -64.22 -40.73 96.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.196 -0.94 . . . . 0.0 109.825 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.82 -44.89 95.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.082 . . . . 0.0 109.432 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.19 -41.18 94.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.226 -0.921 . . . . 0.0 109.016 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.95 -49.39 77.86 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.0 109.683 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.76 -40.03 90.98 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.171 -0.955 . . . . 0.0 109.458 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.84 -41.62 96.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.9 mt-30 -60.05 -41.2 91.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.173 -0.954 . . . . 0.0 109.816 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.19 -40.05 88.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.116 -0.99 . . . . 0.0 108.959 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.94 -48.17 82.8 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -116.75 57.89 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.496 1.836 0 O-C-N 120.996 -1.065 . . . . 0.0 109.059 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 93.0 mt-30 -70.1 144.79 52.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -89.74 60.77 5.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.194 -0.941 . . . . 0.0 109.078 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.06 -40.0 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.536 -0.728 . . . . 0.0 109.203 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t -59.99 -42.77 94.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.194 -0.941 . . . . 0.0 109.515 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.44 -40.77 89.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.96 -1.087 . . . . 0.0 109.254 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.27 -39.94 88.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.509 -0.745 . . . . 0.0 109.832 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.02 85.05 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.018 -1.051 . . . . 0.0 108.634 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.11 -50.0 43.03 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.414 HD11 HG22 ' B' ' 10' ' ' ILE . 97.4 mt -60.04 -47.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -1.182 . . . . 0.0 109.814 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.06 -41.89 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 108.22 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.87 -40.17 94.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.59 -0.694 . . . . 0.0 109.668 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.05 -41.71 92.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.544 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.36 -41.05 92.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.46 -42.69 96.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.379 -0.826 . . . . 0.0 109.152 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -64.4 -41.03 96.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.388 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.49 -43.47 98.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 108.976 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.1 -43.75 95.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.852 . . . . 0.0 109.002 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 58.3 t0 -60.03 -45.06 94.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.283 -0.886 . . . . 0.0 109.702 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.03 -39.96 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.223 -0.923 . . . . 0.0 109.294 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -40.61 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.188 -0.945 . . . . 0.0 108.801 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.02 -42.91 95.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.612 -0.68 . . . . 0.0 109.671 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 11.1 mpt_? -60.1 -40.87 91.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.304 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.38 -39.98 89.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.972 -1.08 . . . . 0.0 109.347 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.13 -47.74 84.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -62.75 -41.98 99.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.39 -40.26 96.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.297 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.37 -40.45 90.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.382 -0.824 . . . . 0.0 109.654 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.76 -40.43 92.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.017 -1.052 . . . . 0.0 109.952 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.466 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.0 mt -62.84 -39.97 96.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.05 -1.031 . . . . 0.0 109.628 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -63.49 -40.06 96.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.091 -1.006 . . . . 0.0 109.922 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.19 -40.03 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 109.181 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.94 -43.43 94.96 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 110.113 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.44 78.56 Favored Glycine 0 N--CA 1.487 2.069 0 C-N-CA 119.668 -1.253 . . . . 0.0 110.223 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.3 m -60.01 -49.91 75.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -1.194 . . . . 0.0 110.0 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.22 -40.01 88.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 0.0 109.722 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.748 HD22 HH21 ' B' ' 41' ' ' ARG . 41.2 t30 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.886 . . . . 0.0 109.794 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.45 -40.02 89.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.061 -1.024 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.03 -41.36 92.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 109.897 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.594 ' HG1' ' N ' ' B' ' 41' ' ' ARG . 31.1 p -59.99 -40.29 88.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.665 -1.272 . . . . 0.0 108.114 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.748 HH21 HD22 ' B' ' 37' ' ' ASN . 32.3 mtt-85 -63.77 -39.99 95.6 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.13 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.431 -0.793 . . . . 0.0 109.305 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 40' ' ' THR . 79.2 p -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.977 -1.077 . . . . 0.0 109.021 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.768 -1.207 . . . . 0.0 109.693 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.82 -40.95 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.225 -0.922 . . . . 0.0 111.255 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.88 -38.8 92.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.527 -1.358 . . . . 0.0 108.45 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.07 -45.09 94.06 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.167 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 49.2 m-85 -65.57 -39.53 91.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.983 -1.073 . . . . 0.0 109.971 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 mt -59.76 -38.59 82.2 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.03 -1.044 . . . . 0.0 108.781 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.03 -39.94 87.62 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.04 -39.12 84.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.391 -0.818 . . . . 0.0 109.342 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.651 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.8 OUTLIER -59.8 -40.11 87.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.855 -1.153 . . . . 0.0 109.067 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.29 84.02 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.819 -1.176 . . . . 0.0 108.16 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.379 -0.825 . . . . 0.0 108.852 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 118.54 12.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.961 -1.087 . . . . 0.0 108.778 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 32.8 m120 -133.65 -64.65 0.7 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.35 -0.844 . . . . 0.0 110.321 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.57 117.99 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.256 -0.902 . . . . 0.0 110.036 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -100.72 129.63 46.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.297 -0.877 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.71 21.9 65.61 Favored Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.667 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.77 23.44 0.17 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.489 -1.595 . . . . 0.0 108.685 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.13 111.46 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.442 -0.786 . . . . 0.0 109.252 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.448 ' CD2' ' NE2' ' C' ' 64' ' ' GLN . 34.3 m-85 -121.69 11.49 10.51 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 121.374 -0.829 . . . . 0.0 110.411 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.73 25.3 2.17 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.426 ' NE2' ' CD2' ' A' ' 62' ' ' PHE . 31.7 mt-30 -143.88 152.79 41.6 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -102.01 57.27 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.03 -1.044 . . . . 0.0 108.619 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.89 158.31 40.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.64 133.54 47.18 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.39 112.96 24.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.603 -1.31 . . . . 0.0 110.012 -178.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -112.86 122.01 46.38 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.513 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 67.1 t -125.28 84.44 59.67 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.485 -0.759 . . . . 0.0 109.7 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.78 63.58 6.41 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.566 2.177 . . . . 0.0 110.958 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' B' ' 73' ' ' PRO . 25.3 t90 -67.22 133.95 93.43 Favored Pre-proline 0 N--CA 1.487 1.408 0 O-C-N 121.535 -0.728 . . . . 0.0 109.091 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' B' ' 72' ' ' TRP . 80.7 Cg_exo -39.02 149.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 121.657 1.571 . . . . 0.0 110.926 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.654 HD22 ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -130.2 -60.45 1.01 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.287 -0.883 . . . . 0.0 109.48 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 124.6 36.72 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.195 -0.941 . . . . 0.0 108.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.4 107.74 14.43 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -79.59 135.92 36.72 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.779 0.8 . . . . 0.0 110.253 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.6 t -90.3 115.31 63.77 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -92.3 -46.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 121.678 1.585 . . . . 0.0 113.715 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -122.17 -44.33 2.28 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.05 94.16 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.363 -1.461 . . . . 0.0 113.142 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.577 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -76.58 -49.95 15.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.186 -1.571 . . . . 0.0 110.837 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.0 -49.99 75.51 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.029 -1.044 . . . . 0.0 110.175 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.01 -47.07 87.36 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.863 -1.148 . . . . 0.0 109.408 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 81' ' ' TRP . 60.1 p -68.91 -39.92 79.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.236 -0.915 . . . . 0.0 109.625 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -66.68 -40.02 88.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.866 -1.146 . . . . 0.0 109.208 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.08 -41.75 93.12 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.882 -1.136 . . . . 0.0 108.345 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.45 -41.52 97.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.96 . . . . 0.0 108.902 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.459 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.3 t90 -60.02 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.61 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -60.84 -41.78 96.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.073 -1.017 . . . . 0.0 109.449 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.65 -40.85 96.36 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.125 -0.985 . . . . 0.0 110.469 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.3 -40.7 91.46 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.12 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.147 -0.97 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.461 -0.774 . . . . 0.0 110.192 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -61.67 -41.12 97.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.952 -1.092 . . . . 0.0 109.667 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.18 -40.54 82.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.177 -0.952 . . . . 0.0 109.104 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.23 -45.64 93.72 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.193 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.12 -41.0 99.25 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.18 -42.29 96.75 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.187 -0.946 . . . . 0.0 109.192 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.66 -47.79 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.353 -0.842 . . . . 0.0 109.379 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 38.5 p -60.33 -42.39 95.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 109.462 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.98 75.45 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.367 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.41 -44.01 97.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.321 -0.862 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.1 -41.88 97.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -49.98 75.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.149 -0.969 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.89 -42.52 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.179 -0.951 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.99 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.32 -0.863 . . . . 0.0 109.797 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.93 -46.21 90.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.142 -0.974 . . . . 0.0 109.572 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.1 -49.04 85.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.184 -0.948 . . . . 0.0 109.306 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.67 -40.05 80.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.128 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -49.93 75.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.006 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.08 -40.04 96.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.122 -0.986 . . . . 0.0 109.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -64.27 -40.46 96.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.855 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.29 -44.22 97.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.953 -1.092 . . . . 0.0 109.431 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 55.3 ttp -65.83 -40.98 92.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.241 -0.912 . . . . 0.0 109.014 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.95 -49.34 78.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.38 -0.825 . . . . 0.0 109.798 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.96 91.36 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.266 -0.896 . . . . 0.0 109.543 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -41.78 95.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.889 . . . . 0.0 109.485 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.8 mt-30 -60.03 -41.21 91.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.2 -39.95 88.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.913 . . . . 0.0 108.938 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.04 -48.25 82.48 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -116.67 57.81 0.77 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.497 1.889 0 O-C-N 120.984 -1.073 . . . . 0.0 109.054 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -70.01 144.59 52.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 109.14 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -89.39 60.63 5.31 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.161 -0.962 . . . . 0.0 109.213 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.03 -39.97 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 109.262 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -60.03 -42.82 95.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.268 -0.895 . . . . 0.0 109.43 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.29 -40.98 90.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 109.271 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.23 -39.71 87.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.541 -0.724 . . . . 0.0 109.892 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.96 86.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.064 -1.022 . . . . 0.0 108.638 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.0 -50.02 43.58 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.407 HD11 HG22 ' C' ' 10' ' ' ILE . 97.3 mt -59.97 -47.79 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.254 -1.144 . . . . 0.0 109.804 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.93 -42.09 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.932 -1.105 . . . . 0.0 108.259 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.49 -40.44 94.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.584 -0.698 . . . . 0.0 109.654 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.01 -41.57 92.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.672 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -60.27 -40.88 91.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.069 -1.019 . . . . 0.0 108.929 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.87 -42.48 97.96 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.481 -0.762 . . . . 0.0 109.117 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.46 -41.02 96.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.181 -0.949 . . . . 0.0 109.372 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.59 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.133 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.0 -43.8 94.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.355 -0.841 . . . . 0.0 109.014 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 58.4 t0 -59.99 -45.06 93.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.282 -0.886 . . . . 0.0 109.637 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.0 -40.09 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.859 . . . . 0.0 109.339 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.57 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.293 -0.88 . . . . 0.0 108.756 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.05 -43.02 95.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.625 -0.672 . . . . 0.0 109.714 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 11.0 mpt_? -60.08 -41.05 91.61 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.263 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.2 -40.05 88.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.013 -1.054 . . . . 0.0 109.272 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.06 -47.85 84.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.348 -0.845 . . . . 0.0 108.989 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.75 -41.78 99.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.323 -0.861 . . . . 0.0 109.643 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.52 -40.26 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.183 -0.948 . . . . 0.0 109.28 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.23 -40.8 91.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.329 -0.857 . . . . 0.0 109.618 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -40.63 91.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.485 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.8 mt -62.55 -40.09 95.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 0.0 109.662 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.5 p -63.52 -40.0 95.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -0.958 . . . . 0.0 110.014 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.27 -39.95 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.0 -43.49 95.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 110.139 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -49.45 78.41 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.281 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.163 -1.198 . . . . 0.0 110.015 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.24 -40.03 88.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.678 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.741 HD22 HH21 ' C' ' 41' ' ' ARG . 40.9 t30 -60.0 -41.3 91.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 0.0 109.773 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.66 -40.04 90.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.998 -1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.01 -41.22 91.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 109.908 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.61 ' HG1' ' N ' ' C' ' 41' ' ' ARG . 30.8 p -60.08 -40.23 88.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.728 -1.232 . . . . 0.0 108.152 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.741 HH21 HD22 ' C' ' 37' ' ' ASN . 31.5 mtt-85 -63.89 -40.02 95.54 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.1 -40.18 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.393 -0.817 . . . . 0.0 109.166 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.8 p -60.01 -40.0 87.71 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.037 -1.039 . . . . 0.0 109.053 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.632 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.413 HG22 HD11 ' C' ' 45' ' ' ILE . 86.2 mt -62.77 -40.96 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.252 -0.905 . . . . 0.0 111.304 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.91 -38.82 92.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.579 -1.326 . . . . 0.0 108.452 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.03 -45.07 94.02 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.234 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 49.2 m-85 -65.8 -39.3 90.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.09 -1.006 . . . . 0.0 110.015 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.84 -38.56 82.39 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.98 -39.98 87.59 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.03 -39.17 84.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.326 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.668 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.813 -1.179 . . . . 0.0 109.109 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.42 84.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.768 -1.207 . . . . 0.0 108.115 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.91 -39.76 86.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.0 108.86 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 mt -69.55 118.54 12.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 108.8 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 32.7 m120 -133.54 -64.5 0.71 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.394 -0.816 . . . . 0.0 110.43 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.79 117.88 4.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.105 -0.997 . . . . 0.0 110.008 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.414 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 89.0 m95 -100.59 129.6 46.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.331 -0.856 . . . . 0.0 110.109 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 63.8 21.8 65.67 Favored Glycine 0 N--CA 1.488 2.144 0 C-N-CA 119.983 -1.104 . . . . 0.0 110.682 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.8 23.63 0.16 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.583 -1.539 . . . . 0.0 108.708 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.27 111.06 2.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.424 -0.797 . . . . 0.0 109.229 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . 0.449 ' CD2' ' NE2' ' A' ' 64' ' ' GLN . 34.6 m-85 -121.34 11.54 10.76 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.323 -0.86 . . . . 0.0 110.418 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.86 25.2 2.15 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' B' ' 62' ' ' PHE . 31.5 mt-30 -143.84 152.61 41.39 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -101.9 57.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.99 -1.069 . . . . 0.0 108.611 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.23 40.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.521 -0.737 . . . . 0.0 109.906 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -129.66 133.47 47.12 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.17 113.02 24.72 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.643 -1.286 . . . . 0.0 110.272 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -112.84 122.02 46.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.508 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 67.5 t -125.52 84.3 60.42 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.526 -0.734 . . . . 0.0 109.614 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.5 63.46 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.565 2.176 . . . . 0.0 110.836 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.7 t90 -67.12 134.0 93.64 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.97 149.43 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.136 0 C-N-CA 121.734 1.623 . . . . 0.0 110.944 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.651 HD22 ' NE2' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -130.38 -60.59 1.0 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.246 -0.908 . . . . 0.0 109.413 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.24 124.48 36.34 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.409 -0.807 . . . . 0.0 108.974 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.39 107.75 14.43 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -79.66 135.95 36.68 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.806 0.812 . . . . 0.0 110.199 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -90.54 115.29 63.81 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -92.29 -47.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.034 0 C-N-CA 121.652 1.568 . . . . 0.0 113.617 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.18 -44.13 2.29 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -60.36 -44.89 95.14 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.381 -1.45 . . . . 0.0 113.142 -175.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.578 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -76.59 -49.94 15.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.213 -1.554 . . . . 0.0 110.775 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -60.09 -49.94 75.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -47.06 87.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.925 -1.109 . . . . 0.0 109.32 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' C' ' 81' ' ' TRP . 60.0 p -68.94 -39.89 79.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.256 -0.902 . . . . 0.0 109.784 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -66.61 -39.98 88.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.89 -1.131 . . . . 0.0 109.177 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.03 -42.09 93.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.909 -1.119 . . . . 0.0 108.26 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.12 -41.55 96.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.212 -0.93 . . . . 0.0 108.859 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.466 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.3 t90 -59.95 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 109.668 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.14 -41.63 97.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -40.97 96.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.375 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.27 -40.57 90.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.874 -1.141 . . . . 0.0 109.75 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.03 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.146 -0.971 . . . . 0.0 109.003 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.96 -47.58 85.2 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.391 -0.818 . . . . 0.0 110.194 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -61.83 -40.72 96.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.08 . . . . 0.0 109.623 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.47 -40.38 81.03 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.131 -0.981 . . . . 0.0 109.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.54 -45.29 94.82 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.281 -0.887 . . . . 0.0 109.238 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.33 -40.84 98.42 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.311 -0.868 . . . . 0.0 109.48 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.58 -42.23 95.76 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 0.0 109.127 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.46 -48.25 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.283 -0.886 . . . . 0.0 109.327 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -42.28 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -0.986 . . . . 0.0 109.406 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.93 75.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.26 -0.9 . . . . 0.0 109.363 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.43 -44.08 97.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.502 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.1 -41.78 97.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.157 -0.964 . . . . 0.0 109.591 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.84 -42.66 98.22 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.259 -0.901 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.97 87.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.314 -0.866 . . . . 0.0 109.745 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.0 -46.35 89.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.003 -1.061 . . . . 0.0 109.546 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.07 -49.0 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.299 -0.876 . . . . 0.0 109.316 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.72 -40.06 80.13 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.202 -0.936 . . . . 0.0 110.197 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -60.01 -49.87 75.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.031 -1.043 . . . . 0.0 110.036 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.19 -40.04 96.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.993 . . . . 0.0 109.618 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.12 -40.45 96.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.832 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.06 -44.52 96.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.004 -1.06 . . . . 0.0 109.47 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 55.0 ttp -65.56 -41.32 93.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.294 -0.879 . . . . 0.0 109.009 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.95 -49.05 79.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.405 -0.809 . . . . 0.0 109.733 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -40.2 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.56 -41.64 94.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.434 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -60.07 -41.43 92.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.811 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -59.95 -40.06 87.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.97 -48.33 82.16 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -116.64 58.08 0.77 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.479 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 m . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.033 . . . . 0.0 109.054 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.63 144.21 49.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.511 -0.743 . . . . 0.0 109.533 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 3' ' ' SER . 24.0 p -89.57 59.64 4.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 108.967 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.16 -40.0 95.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.444 -0.785 . . . . 0.0 109.518 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.05 -43.36 95.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.152 -0.968 . . . . 0.0 109.183 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' A' ' 5' ' ' THR . 63.5 tp -63.65 -41.72 98.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 0.0 108.411 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.88 -39.73 92.94 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.698 -0.626 . . . . 0.0 109.656 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.57 91.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.065 -1.022 . . . . 0.0 108.449 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.93 -44.35 68.59 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.11 -50.0 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -1.183 . . . . 0.0 110.541 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.15 -44.33 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.807 -1.183 . . . . 0.0 109.211 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.42 -40.0 89.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.91 -41.04 90.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.094 -1.004 . . . . 0.0 109.497 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.81 -41.61 96.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.047 -1.033 . . . . 0.0 109.379 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -46.03 90.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.409 -0.807 . . . . 0.0 109.515 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.89 -41.9 96.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 109.761 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.77 -40.46 97.36 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.186 -0.946 . . . . 0.0 109.404 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.67 -41.62 99.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.175 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.98 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.19 -40.21 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.246 -0.908 . . . . 0.0 109.507 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -43.62 92.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.87 -40.26 94.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.49 -0.756 . . . . 0.0 109.07 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.3 mmt180 -60.68 -40.47 92.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.174 -0.954 . . . . 0.0 109.279 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.78 -39.95 90.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.172 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.05 -46.94 87.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.393 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.1 -40.42 94.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.155 -0.965 . . . . 0.0 109.349 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.77 -39.94 94.44 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.436 -0.79 . . . . 0.0 109.198 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.14 -40.33 89.44 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.156 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -40.18 91.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -0.987 . . . . 0.0 109.653 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.0 mt -63.25 -40.07 96.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.454 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.46 -40.07 95.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.964 -1.085 . . . . 0.0 109.301 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.72 -40.02 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.466 -0.771 . . . . 0.0 109.061 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.97 -43.62 94.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.353 -0.842 . . . . 0.0 110.122 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.97 -47.5 90.39 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.19 -50.03 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.253 . . . . 0.0 109.835 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.69 -40.23 91.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.705 HD22 HH21 ' A' ' 41' ' ' ARG . 46.1 t30 -60.1 -40.17 88.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.106 -0.996 . . . . 0.0 109.688 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.65 -40.06 90.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.9 -41.33 91.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 43' ' ' THR . 66.7 p -60.77 -40.57 93.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.899 -1.126 . . . . 0.0 109.036 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.705 HH21 HD22 ' A' ' 37' ' ' ASN . 33.9 mtt-85 -68.49 -39.98 81.12 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.445 -0.785 . . . . 0.0 109.081 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.98 -41.72 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.356 -0.84 . . . . 0.0 108.885 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 40' ' ' THR . 54.0 p -60.45 -39.93 89.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.069 -1.019 . . . . 0.0 109.301 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.65 94.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.155 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.97 -39.59 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.07 87.49 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.188 -0.945 . . . . 0.0 109.281 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.18 -43.48 95.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 109.378 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 60.5 m-85 -67.06 -40.01 86.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 109.671 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 82.9 mt -59.99 -39.98 87.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.751 -1.218 . . . . 0.0 108.05 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.61 -34.88 69.74 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.419 -1.426 . . . . 0.0 107.64 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -64.4 -28.24 69.55 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 6.5 tt0 -57.3 -45.93 83.68 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.94 87.42 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.277 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.48 117.33 16.18 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.137 -0.977 . . . . 0.0 108.861 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.666 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 77.5 m-20 -133.25 -71.1 0.52 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.428 -0.795 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.1 117.38 4.21 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 109.56 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -101.14 131.41 47.1 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.318 -0.864 . . . . 0.0 111.181 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 61.55 25.05 64.75 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.85 23.75 0.16 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.607 -1.525 . . . . 0.0 109.431 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.18 114.12 2.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.067 -1.021 . . . . 0.0 109.784 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -122.2 11.6 10.16 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.275 -0.891 . . . . 0.0 108.815 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.3 2.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -147.37 152.52 38.31 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 t -101.97 58.86 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.67 158.32 43.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.506 -0.746 . . . . 0.0 109.816 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -129.68 134.09 47.46 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -89.91 111.53 22.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 109.109 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.02 43.88 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.666 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 60.9 t -125.78 81.79 65.0 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 121.453 -0.779 . . . . 0.0 109.518 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -85.51 60.12 5.19 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.892 2.394 . . . . 0.0 111.628 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.532 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 29.8 t90 -71.78 131.47 85.88 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.528 -0.732 . . . . 0.0 109.59 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.532 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.0 Cg_exo -40.9 149.81 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.415 1.41 . . . . 0.0 110.978 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 2.6 t30 -130.42 -43.5 1.15 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.142 -0.974 . . . . 0.0 109.564 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.35 125.16 39.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.286 -0.884 . . . . 0.0 109.075 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -81.7 108.31 15.14 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.93 134.56 34.66 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.541 0.686 . . . . 0.0 110.165 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -93.61 113.39 60.17 Favored Pre-proline 0 N--CA 1.495 1.793 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.11 -48.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.575 1.517 . . . . 0.0 113.71 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -121.39 -44.04 2.38 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.05 -50.18 74.74 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.306 -1.496 . . . . 0.0 112.806 -175.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.2 t30 -70.25 -43.79 69.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.922 -1.737 . . . . 0.0 109.938 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -60.06 -50.12 74.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 111.104 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.42 -40.17 95.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.86 -1.15 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.9 p -70.14 -39.97 75.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.687 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.479 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -68.26 -39.94 82.08 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.35 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.08 -42.03 93.73 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.641 -1.287 . . . . 0.0 108.585 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.14 -42.81 95.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.498 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -60.03 -49.87 75.97 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.84 -40.03 95.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.109 -0.995 . . . . 0.0 109.37 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -61.18 -42.45 98.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.145 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.01 -43.5 95.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.825 -1.172 . . . . 0.0 108.34 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.01 -41.89 87.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.17 -44.8 94.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.281 -0.887 . . . . 0.0 110.614 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.26 -40.05 86.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.86 -1.15 . . . . 0.0 109.734 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.47 -39.94 81.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.056 -1.028 . . . . 0.0 108.995 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.22 -45.07 94.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.58 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -46.26 90.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 0.0 109.714 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.461 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -60.02 -45.61 92.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.216 -0.928 . . . . 0.0 109.502 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 100' ' ' ILE . 96.6 mt -60.0 -46.92 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.766 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 75.5 p -59.95 -42.47 94.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.913 -1.117 . . . . 0.0 109.103 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -50.0 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.326 -0.859 . . . . 0.0 109.601 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.03 -43.81 95.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.846 . . . . 0.0 109.543 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.18 -42.71 99.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 0.0 109.535 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.35 -43.49 96.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.14 -0.975 . . . . 0.0 109.55 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -68.16 -39.94 82.47 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.149 -0.969 . . . . 0.0 108.862 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.47 91.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.03 -47.6 85.19 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.051 -1.031 . . . . 0.0 109.37 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.99 -50.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.193 -0.942 . . . . 0.0 109.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.43 -40.15 85.47 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.411 -0.805 . . . . 0.0 110.249 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -59.92 -49.73 76.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.916 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.042 -1.036 . . . . 0.0 109.563 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.2 -39.86 89.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 109.842 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.1 -40.77 94.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.859 -1.15 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.04 -40.01 75.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.04 . . . . 0.0 108.891 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.08 -44.18 94.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 0.0 109.19 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.16 -40.1 88.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.028 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.01 -40.1 88.1 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.4 mt-30 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.0 109.686 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.99 -39.97 87.56 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.15 -0.969 . . . . 0.0 109.724 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.95 -47.57 85.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.56 61.18 1.32 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.081 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.26 144.34 50.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.458 -0.777 . . . . 0.0 109.486 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' B' ' 3' ' ' SER . 22.0 p -89.53 59.68 4.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.95 . . . . 0.0 108.931 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -64.25 -40.04 95.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.825 . . . . 0.0 109.531 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 8.8 t -60.15 -42.75 95.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.23 -0.919 . . . . 0.0 109.324 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.8 tp -64.49 -41.03 96.7 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.27 -39.82 94.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.641 -0.662 . . . . 0.0 109.597 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.44 92.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.066 -1.021 . . . . 0.0 108.476 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -44.51 69.29 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.2 -49.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.289 -1.124 . . . . 0.0 110.518 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.09 -44.29 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.72 -1.238 . . . . 0.0 109.126 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -60.25 -40.06 88.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.331 -0.856 . . . . 0.0 109.76 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -41.34 91.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.217 -0.927 . . . . 0.0 109.488 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.57 -41.64 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.07 -45.88 91.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.0 109.411 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.87 -41.85 96.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.75 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.89 -41.04 99.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.31 -0.869 . . . . 0.0 109.341 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.6 tp -62.14 -41.66 98.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.14 -0.975 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -48.27 82.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.374 -0.829 . . . . 0.0 109.967 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.75 -39.98 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.35 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -43.43 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.09 -40.06 94.58 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.544 -0.723 . . . . 0.0 109.063 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.493 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.4 mmt180 -60.92 -40.41 93.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 109.304 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.7 -39.98 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.862 . . . . 0.0 109.192 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -60.02 -47.01 87.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.13 -40.33 94.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.079 -1.013 . . . . 0.0 109.332 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.74 -40.05 94.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.383 -0.823 . . . . 0.0 109.115 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.04 -40.33 89.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.383 -0.823 . . . . 0.0 109.26 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.79 -40.27 92.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.579 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.504 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.8 mt -63.27 -39.99 96.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.3 p -64.3 -40.02 95.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.982 -1.074 . . . . 0.0 109.299 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.07 -39.96 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.432 -0.792 . . . . 0.0 109.141 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -60.01 -43.36 95.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.382 -0.824 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.93 -47.76 89.03 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.04 -49.94 75.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -1.207 . . . . 0.0 109.93 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -60.9 -40.21 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.974 -1.079 . . . . 0.0 109.952 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.722 HD22 HH21 ' B' ' 41' ' ' ARG . 45.6 t30 -60.08 -40.11 88.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 109.581 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.69 -39.95 90.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.16 -0.963 . . . . 0.0 109.821 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.474 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 43' ' ' THR . 65.7 p -60.64 -40.8 93.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.891 -1.131 . . . . 0.0 109.032 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.722 HH21 HD22 ' B' ' 37' ' ' ASN . 33.1 mtt-85 -68.34 -40.03 81.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.04 -41.76 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.935 . . . . 0.0 108.767 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 40' ' ' THR . 55.4 p -60.31 -40.03 89.08 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.07 -1.019 . . . . 0.0 109.377 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.69 94.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 0.0 109.12 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.97 -39.54 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.71 -40.07 86.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.273 -0.892 . . . . 0.0 109.264 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -60.37 -43.07 96.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.897 -1.127 . . . . 0.0 109.523 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 60.4 m-85 -67.48 -40.03 85.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 109.683 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' B' ' 52' ' ' GLN . 83.5 mt -60.01 -39.92 87.46 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.779 -1.201 . . . . 0.0 107.995 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.75 -34.84 69.97 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.452 -1.405 . . . . 0.0 107.644 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -64.36 -28.42 69.68 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.478 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 6.5 tt0 -56.96 -46.02 82.45 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.0 87.81 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.849 . . . . 0.0 109.196 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -74.46 117.23 16.04 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.122 -0.986 . . . . 0.0 108.849 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 76.2 m-80 -133.08 -70.8 0.53 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.31 -0.869 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.22 117.25 4.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.29 -0.881 . . . . 0.0 109.578 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -101.2 131.57 47.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.29 -0.881 . . . . 0.0 111.16 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.58 24.98 64.71 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.97 23.71 0.17 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.651 -1.499 . . . . 0.0 109.456 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.08 114.34 2.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.159 -0.963 . . . . 0.0 109.725 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -122.42 11.66 10.01 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.33 -0.856 . . . . 0.0 108.835 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.16 2.77 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -147.12 152.59 38.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.055 -1.028 . . . . 0.0 108.235 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 t -101.95 58.73 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.63 158.16 43.11 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.507 -0.746 . . . . 0.0 109.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.49 134.09 47.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.8 t -89.9 111.72 22.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.744 -1.222 . . . . 0.0 109.127 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.12 120.94 43.51 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.632 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 61.4 t -125.72 81.75 64.83 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.463 -0.773 . . . . 0.0 109.522 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.55 60.14 5.16 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.888 2.392 . . . . 0.0 111.639 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.529 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 31.1 t90 -71.75 131.4 86.0 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.518 -0.739 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.529 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.4 Cg_exo -40.81 149.76 0.15 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.489 1.46 . . . . 0.0 110.852 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 2.6 t30 -130.37 -43.23 1.16 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.158 -0.964 . . . . 0.0 109.546 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.33 125.18 39.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.842 . . . . 0.0 109.148 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -81.8 108.29 15.22 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -84.04 134.65 34.62 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.613 0.72 . . . . 0.0 110.161 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.8 t -93.62 113.38 60.15 Favored Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.596 -0.69 . . . . 0.0 109.186 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -90.3 -48.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.037 0 C-N-CA 121.506 1.471 . . . . 0.0 113.716 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -121.38 -44.26 2.37 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.01 -50.1 75.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.25 -1.531 . . . . 0.0 112.896 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.3 t30 -70.41 -43.75 69.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 119.937 -1.727 . . . . 0.0 109.914 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.96 -50.04 75.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.231 -0.918 . . . . 0.0 110.98 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.61 -40.24 95.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.806 -1.184 . . . . 0.0 109.969 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.2 p -70.06 -39.95 75.35 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.16 -0.963 . . . . 0.0 109.765 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.489 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.3 t-105 -68.08 -40.05 82.75 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.074 -1.016 . . . . 0.0 109.353 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.02 -42.16 93.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.732 -1.23 . . . . 0.0 108.531 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -42.86 95.56 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.489 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 62.1 t90 -59.96 -50.0 75.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.479 -0.763 . . . . 0.0 109.102 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.76 -40.27 96.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.309 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -60.75 -42.69 97.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.28 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.04 -43.36 95.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.904 -1.123 . . . . 0.0 108.406 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.06 -41.8 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.236 -0.915 . . . . 0.0 109.322 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.12 -44.84 94.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.462 -0.774 . . . . 0.0 110.633 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.3 -40.02 86.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.799 -1.188 . . . . 0.0 109.693 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.37 -40.11 81.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.058 -1.026 . . . . 0.0 109.008 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 109.582 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -46.01 90.87 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.211 -0.931 . . . . 0.0 109.704 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.7 t-20 -59.9 -45.89 91.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 109.541 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 100' ' ' ILE . 96.6 mt -60.02 -46.85 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.197 -0.94 . . . . 0.0 109.82 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 75.9 p -59.95 -42.33 93.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.058 -1.026 . . . . 0.0 109.134 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -49.95 75.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.607 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.09 -43.64 95.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.601 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.29 -42.98 99.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.17 -0.956 . . . . 0.0 109.417 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.1 -43.52 95.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.101 -0.999 . . . . 0.0 109.461 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.13 -40.02 82.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.208 -0.933 . . . . 0.0 109.053 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.66 91.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.222 -0.924 . . . . 0.0 109.659 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -47.73 84.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.018 -1.051 . . . . 0.0 109.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -59.97 -49.79 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.261 -0.9 . . . . 0.0 109.178 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.76 -39.96 84.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 110.249 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.04 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.179 -0.951 . . . . 0.0 109.741 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 0.5 OUTLIER -63.52 -40.06 96.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.053 . . . . 0.0 109.709 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.91 -39.96 91.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.239 -0.913 . . . . 0.0 109.826 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.85 -40.93 94.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.876 -1.14 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.96 -40.06 75.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 108.875 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.17 -44.19 95.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.798 . . . . 0.0 109.196 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.11 -0.994 . . . . 0.0 109.052 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.99 -40.16 88.19 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -60.07 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.216 -0.927 . . . . 0.0 109.719 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.99 -39.95 87.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 0.0 109.677 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.95 -47.62 85.04 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -126.76 61.19 1.33 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.879 -1.057 . . . . 0.0 109.072 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.73 144.56 49.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.477 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' C' ' 3' ' ' SER . 23.8 p -89.71 59.76 4.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.416 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 9.0 t -60.08 -43.02 95.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.279 -0.888 . . . . 0.0 109.241 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' C' ' 5' ' ' THR . 63.0 tp -64.31 -41.32 96.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.112 -0.992 . . . . 0.0 108.393 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.01 -39.8 93.52 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.651 -0.656 . . . . 0.0 109.616 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.44 91.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.076 -1.015 . . . . 0.0 108.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -44.24 68.63 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.19 -50.02 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 110.426 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.16 -44.44 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 109.201 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.827 . . . . 0.0 109.841 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.108 -0.995 . . . . 0.0 109.446 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.24 -41.83 93.96 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.993 -1.067 . . . . 0.0 109.317 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.04 -46.11 90.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.402 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.73 -42.03 96.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.157 -0.964 . . . . 0.0 109.746 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -40.8 98.32 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.35 -41.63 98.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.251 -0.906 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.02 -48.81 80.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.11 -40.1 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.0 109.466 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -43.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.74 -40.27 94.52 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.461 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.1 mmt180 -60.79 -40.78 93.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 109.164 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.52 -39.98 89.76 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.196 -0.94 . . . . 0.0 109.131 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.03 -47.12 87.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.0 109.459 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.99 -40.27 94.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 0.0 109.324 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.89 -40.0 94.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.402 -0.811 . . . . 0.0 109.014 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.93 -40.39 88.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.366 -0.834 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.64 -40.57 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.25 -0.907 . . . . 0.0 109.63 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.498 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.7 mt -62.89 -39.95 96.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.171 -0.955 . . . . 0.0 109.537 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.7 p -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.982 -1.074 . . . . 0.0 109.202 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.89 -40.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.305 -0.872 . . . . 0.0 109.188 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -60.06 -43.4 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 0.0 110.055 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -47.65 89.65 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.08 -50.0 75.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -1.204 . . . . 0.0 109.786 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -60.74 -40.31 91.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.719 HD22 HH21 ' C' ' 41' ' ' ARG . 45.6 t30 -59.98 -40.53 89.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.987 . . . . 0.0 109.576 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.2 -40.05 88.7 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 109.875 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.983 -1.073 . . . . 0.0 109.423 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' C' ' 43' ' ' THR . 67.5 p -60.41 -40.86 92.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.884 -1.135 . . . . 0.0 109.053 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.719 HH21 HD22 ' C' ' 37' ' ' ASN . 33.0 mtt-85 -68.38 -39.96 81.55 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.32 -0.862 . . . . 0.0 109.136 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.96 -41.74 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.181 -0.949 . . . . 0.0 108.952 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 40' ' ' THR . 50.5 p -60.32 -40.02 89.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 109.305 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.39 94.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.16 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.98 -39.7 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.04 87.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.127 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.27 -43.41 96.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.053 -1.029 . . . . 0.0 109.342 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 60.5 m-85 -67.17 -40.02 86.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.9 . . . . 0.0 109.695 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' C' ' 52' ' ' GLN . 83.5 mt -59.92 -40.06 87.57 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.763 -1.211 . . . . 0.0 108.006 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.65 -34.82 69.75 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.416 -1.427 . . . . 0.0 107.67 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -64.45 -28.2 69.51 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.481 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 6.5 tt0 -57.31 -45.97 83.67 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.401 -0.812 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.61 117.3 16.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.008 -1.057 . . . . 0.0 108.848 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.641 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 77.0 m-20 -133.32 -70.83 0.52 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.297 -0.877 . . . . 0.0 110.411 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.32 117.45 4.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.0 109.534 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -101.24 131.61 47.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.324 -0.86 . . . . 0.0 111.09 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 61.44 25.2 64.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.01 23.62 0.17 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.662 -1.493 . . . . 0.0 109.448 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -159.13 114.17 2.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -122.18 11.6 10.17 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.323 -0.86 . . . . 0.0 108.898 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 24.1 ttt180 -138.08 22.08 2.82 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -147.13 152.6 38.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 108.306 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -101.83 58.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.58 158.18 43.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.502 -0.749 . . . . 0.0 109.998 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.37 134.16 47.74 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -89.93 111.87 23.07 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.7 -1.25 . . . . 0.0 109.124 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.27 120.94 43.44 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.641 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 62.7 t -125.72 81.57 65.1 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -85.44 60.16 5.26 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.832 2.355 . . . . 0.0 111.669 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.526 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 30.3 t90 -71.71 131.52 85.96 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 109.585 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.526 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 78.5 Cg_exo -40.83 149.75 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.527 1.484 . . . . 0.0 110.876 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 2.6 t30 -130.45 -42.97 1.16 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.191 -0.943 . . . . 0.0 109.574 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.84 125.35 40.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.275 -0.89 . . . . 0.0 109.06 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.4 t -81.64 108.34 15.12 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.2 mt -84.11 134.84 34.58 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.65 0.738 . . . . 0.0 110.102 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.8 t -93.8 113.19 59.8 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.561 -0.712 . . . . 0.0 109.237 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -90.12 -48.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.563 1.509 . . . . 0.0 113.777 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.33 -44.05 2.39 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -60.1 -50.02 75.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.305 -1.497 . . . . 0.0 112.903 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.8 t30 -70.45 -43.56 69.58 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 119.852 -1.78 . . . . 0.0 109.802 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -60.27 -49.95 75.59 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.29 -0.881 . . . . 0.0 110.988 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.29 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.749 -1.219 . . . . 0.0 109.894 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 40.4 p -69.99 -40.05 75.55 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.487 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 37.1 t-105 -68.08 -39.95 82.79 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.41 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.682 -1.261 . . . . 0.0 108.58 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.08 -42.78 95.35 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.504 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 62.4 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.491 -0.755 . . . . 0.0 108.996 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.8 -40.17 96.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.357 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -60.79 -42.72 98.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.0 -43.24 95.32 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.473 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.17 -41.56 87.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 0.0 109.306 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.33 -44.97 95.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.235 -0.916 . . . . 0.0 110.65 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -67.27 -39.93 86.13 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.802 -1.186 . . . . 0.0 109.72 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.3 -40.13 81.82 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 109.088 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.23 -44.98 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -46.18 90.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.284 -0.885 . . . . 0.0 109.676 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.493 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.6 t-20 -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -46.97 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.343 -0.848 . . . . 0.0 109.764 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 76.4 p -60.02 -42.46 94.41 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.088 -1.007 . . . . 0.0 109.063 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.97 75.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.634 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.02 -43.85 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.632 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.32 -42.74 99.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 0.0 109.443 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.0 109.656 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.17 -40.05 82.39 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.254 -0.904 . . . . 0.0 108.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.52 91.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.279 -0.888 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.13 -47.39 86.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.091 -1.005 . . . . 0.0 109.438 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 109.247 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -67.56 -40.1 84.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.434 -0.791 . . . . 0.0 110.184 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -60.01 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 109.917 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 0.5 OUTLIER -63.42 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.975 -1.078 . . . . 0.0 109.602 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.13 -39.99 90.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.131 -0.981 . . . . 0.0 109.804 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.6 -41.17 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.945 -1.097 . . . . 0.0 109.522 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.0 -40.0 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.065 -1.022 . . . . 0.0 108.922 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.05 -44.15 94.9 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.17 -39.93 88.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.176 -0.952 . . . . 0.0 109.168 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.06 -40.08 88.23 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.555 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.6 mt-30 -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.677 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 109.754 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.76 -47.59 85.05 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -126.6 61.09 1.32 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.659 -0.651 . . . . 0.0 109.254 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.555 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 117.888 -1.054 . . . . 0.0 109.176 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.527 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.0 mt-30 -69.54 144.01 53.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 109.117 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.06 60.28 5.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.104 -0.997 . . . . 0.0 108.887 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.91 -40.0 87.58 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.513 -0.742 . . . . 0.0 109.443 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.9 t -61.09 -42.28 98.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.56 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' A' ' 5' ' ' THR . 61.9 tp -60.76 -42.61 97.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 108.953 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.2 mt -60.04 -39.98 87.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.456 -0.778 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.173 -0.954 . . . . 0.0 108.672 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.32 -47.1 45.76 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 10' ' ' ILE . 96.7 mt -59.98 -48.82 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.143 -1.21 . . . . 0.0 109.862 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.02 -41.14 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.046 -1.034 . . . . 0.0 108.619 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.82 -40.04 91.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.562 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.0 -41.59 92.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.14 -0.975 . . . . 0.0 109.592 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.02 -40.47 89.39 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.064 -1.023 . . . . 0.0 109.104 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.12 -43.37 95.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.484 -0.76 . . . . 0.0 109.779 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.11 -40.42 96.16 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.45 -40.83 95.91 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.985 . . . . 0.0 109.116 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' CD2' ' OE1' ' A' ' 108' ' ' GLN . 34.8 tp -60.08 -42.91 95.6 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.815 . . . . 0.0 109.135 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.3 t0 -60.07 -46.3 90.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.398 -0.814 . . . . 0.0 110.209 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.01 -39.99 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.0 109.822 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.4 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.128 -0.983 . . . . 0.0 108.465 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.02 -40.02 94.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 23.2 mmt-85 -60.0 -40.3 88.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 109.136 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.29 85.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.293 -0.88 . . . . 0.0 108.924 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -59.92 -48.96 79.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.888 . . . . 0.0 110.04 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.65 -40.39 95.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.72 -1.237 . . . . 0.0 109.674 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.67 -42.32 96.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 109.423 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.05 -40.05 88.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.237 -0.914 . . . . 0.0 110.035 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.056 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -64.19 -40.73 96.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 109.661 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.0 p -63.16 -39.99 96.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.072 -1.017 . . . . 0.0 109.397 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.04 -39.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.307 -0.87 . . . . 0.0 108.984 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.15 -42.54 95.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.776 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.32 -47.69 89.84 Favored Glycine 0 N--CA 1.488 2.133 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -49.92 75.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.918 -1.342 . . . . 0.0 109.202 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.8 -39.97 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' O ' ' OG1' ' A' ' 40' ' ' THR . 28.5 t-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 109.715 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.6 mt -59.92 -40.11 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 0.0 108.376 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.92 -39.85 86.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.44 -0.788 . . . . 0.0 109.268 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.58 ' HG1' ' N ' ' A' ' 41' ' ' ARG . 60.5 p -59.74 -40.21 87.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.735 -1.228 . . . . 0.0 108.623 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' HG1' ' A' ' 40' ' ' THR . 45.3 mtt-85 -62.64 -39.92 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.843 -1.161 . . . . 0.0 108.684 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.06 -42.98 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 109.058 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 40' ' ' THR . 78.9 p -59.91 -40.3 88.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.034 -1.041 . . . . 0.0 109.139 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.4 75.72 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.427 -1.421 . . . . 0.0 109.204 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.11 -40.02 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.64 -39.99 90.34 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.673 -1.267 . . . . 0.0 108.502 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.17 -41.99 97.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.019 -1.051 . . . . 0.0 109.188 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 42.0 m-85 -64.67 -39.74 94.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 109.509 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.85 -37.59 79.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.876 -1.14 . . . . 0.0 108.118 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.0 -39.32 85.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.787 -1.196 . . . . 0.0 108.167 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -59.22 -39.84 83.99 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.871 -1.143 . . . . 0.0 108.168 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.08 -39.39 85.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 108.799 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.74 -34.28 62.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.886 -1.134 . . . . 0.0 108.82 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.43 -39.9 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.64 116.9 17.74 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.713 HD21 ' H ' ' A' ' 70' ' ' VAL . 67.7 m-80 -132.41 -69.43 0.58 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.264 -0.897 . . . . 0.0 109.204 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.45 87.56 1.32 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -100.45 126.62 46.87 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.772 -0.58 . . . . 0.0 109.971 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 110.63 -4.26 29.33 Favored Glycine 0 N--CA 1.498 2.814 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.664 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.43 25.71 0.31 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.0 -1.883 . . . . 0.0 109.366 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.45 102.57 14.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.585 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 17.7 m-85 -107.34 7.49 29.21 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.827 -1.171 . . . . 0.0 109.864 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.68 24.59 0.28 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.5 152.49 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.723 -0.611 . . . . 0.0 109.477 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.95 57.53 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 159.93 44.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.504 -0.748 . . . . 0.0 109.969 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -119.49 134.48 55.2 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.29 121.63 37.15 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.767 0.794 . . . . 0.0 110.916 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.27 123.05 49.09 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.713 ' H ' HD21 ' A' ' 56' ' ' ASN . 20.4 t -125.59 83.43 61.93 Favored Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.353 -0.842 . . . . 0.0 109.811 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.89 65.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 122.939 2.426 . . . . 0.0 112.122 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 47.5 t90 -68.73 130.07 92.04 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.077 -1.014 . . . . 0.0 108.657 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 57.3 Cg_exo -36.89 147.91 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.761 1.64 . . . . 0.0 111.946 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 40.5 t-20 -130.12 -60.1 1.03 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.461 -0.775 . . . . 0.0 109.49 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.69 126.2 36.69 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.042 -1.036 . . . . 0.0 108.994 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 p -80.51 108.57 14.25 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.78 136.14 35.43 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.401 0.62 . . . . 0.0 109.96 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 78' ' ' THR . 14.2 t -91.94 112.26 53.91 Favored Pre-proline 0 N--CA 1.492 1.654 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -92.91 -48.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.84 1.693 . . . . 0.0 114.867 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.4 -44.27 2.37 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.379 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.5 p90 -60.01 -51.65 68.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.292 -1.505 . . . . 0.0 112.006 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 2.0 t30 -79.58 -41.65 26.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.09 -1.631 . . . . 0.0 110.075 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.02 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.267 -0.896 . . . . 0.0 109.844 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.94 -48.4 81.84 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.087 -1.008 . . . . 0.0 109.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.5 p -65.31 -40.25 93.53 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.285 -0.884 . . . . 0.0 109.774 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -60.56 -39.95 89.85 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.055 -1.028 . . . . 0.0 109.373 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -42.1 93.53 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.853 -1.155 . . . . 0.0 108.288 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.0 -39.99 94.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.245 -0.909 . . . . 0.0 109.009 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.401 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -59.97 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.64 -44.2 96.65 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -42.62 98.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 110.864 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.43 -42.51 96.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.776 -1.203 . . . . 0.0 109.383 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.57 -41.15 86.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.077 -1.014 . . . . 0.0 108.706 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.66 -45.12 95.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.496 -0.753 . . . . 0.0 110.686 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -63.84 -41.95 97.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.811 -1.181 . . . . 0.0 109.684 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.66 -41.1 92.9 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.997 -1.065 . . . . 0.0 108.778 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.11 -48.28 82.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.374 -0.829 . . . . 0.0 109.137 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.27 -44.51 95.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.396 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.26 -44.31 95.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.519 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.18 -45.27 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.408 -0.808 . . . . 0.0 109.329 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.8 p -60.67 -41.97 96.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.259 -0.901 . . . . 0.0 109.889 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.33 99.05 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.036 . . . . 0.0 109.165 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.94 -42.21 90.33 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.14 -46.66 89.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.086 -1.009 . . . . 0.0 108.738 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.99 -41.28 96.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.538 -0.726 . . . . 0.0 109.432 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.88 95.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.401 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 26.0 mm100 -60.1 -46.72 88.68 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.411 -0.806 . . . . 0.0 109.491 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.92 -49.95 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.132 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.33 -40.17 93.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.942 . . . . 0.0 109.22 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.94 -49.46 77.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.505 -0.747 . . . . 0.0 109.439 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.18 -40.66 98.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.946 . . . . 0.0 109.278 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -63.14 -40.07 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.431 -0.793 . . . . 0.0 109.634 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.75 -40.53 84.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.959 -1.088 . . . . 0.0 109.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -69.19 -40.08 78.3 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.92 -47.47 85.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.88 -40.09 91.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.02 -41.79 92.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.9 mt-30 -60.34 -40.49 90.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.745 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -60.39 -39.94 89.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.183 -0.948 . . . . 0.0 109.219 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.82 -49.04 79.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.94 56.98 0.76 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.403 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 95.9 mt-30 -69.73 143.99 52.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.892 . . . . 0.0 109.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.25 60.32 5.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.112 -0.993 . . . . 0.0 108.821 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.86 -40.02 87.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.535 -0.728 . . . . 0.0 109.519 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.9 t -61.24 -42.27 98.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.204 -0.935 . . . . 0.0 109.527 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' B' ' 5' ' ' THR . 61.8 tp -60.65 -42.55 97.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.141 -0.974 . . . . 0.0 108.851 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.51 -0.743 . . . . 0.0 109.772 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.199 -0.938 . . . . 0.0 108.668 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.43 -47.03 45.27 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -48.88 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.257 -1.143 . . . . 0.0 109.809 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.94 -41.33 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.125 -0.984 . . . . 0.0 108.589 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.79 -39.94 90.76 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.559 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -59.99 -41.52 92.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 109.675 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.08 -40.41 89.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.968 . . . . 0.0 109.005 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.06 -43.25 95.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.787 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.09 -40.75 96.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.101 -1.0 . . . . 0.0 109.908 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.09 -40.83 95.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.21 -43.0 96.33 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.509 -0.744 . . . . 0.0 109.084 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.97 -46.33 89.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 110.202 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.99 -40.09 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 109.894 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 67.0 t -59.94 -40.67 83.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.153 -0.967 . . . . 0.0 108.568 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.0 -40.01 94.19 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.304 0.573 . . . . 0.0 109.454 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.445 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 23.9 mmt-85 -60.11 -40.27 89.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.384 -0.823 . . . . 0.0 109.02 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.97 -39.58 86.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.387 -0.821 . . . . 0.0 108.869 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.93 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -64.71 -40.37 95.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.774 -1.204 . . . . 0.0 109.605 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.59 -42.48 96.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.468 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.17 -39.89 88.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.242 -0.911 . . . . 0.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.0 108.98 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.42 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.1 mt -64.17 -40.92 97.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 58.1 p -62.83 -39.99 96.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.122 -0.986 . . . . 0.0 109.445 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.16 -39.9 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.04 -42.79 95.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.807 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.62 90.12 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.624 -1.274 . . . . 0.0 110.195 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -50.01 75.42 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.006 -1.29 . . . . 0.0 109.252 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -61.04 -39.95 91.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.299 -0.875 . . . . 0.0 109.148 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.431 ' O ' ' OG1' ' B' ' 40' ' ' THR . 28.4 t-20 -59.96 -40.14 88.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.275 -0.891 . . . . 0.0 109.672 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.98 -39.94 87.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.04 -1.037 . . . . 0.0 108.399 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.09 -39.89 87.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.391 -0.818 . . . . 0.0 109.242 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.598 ' HG1' ' N ' ' B' ' 41' ' ' ARG . 59.6 p -59.62 -40.19 86.74 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.73 -1.231 . . . . 0.0 108.587 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.598 ' N ' ' HG1' ' B' ' 40' ' ' THR . 46.3 mtt-85 -62.7 -40.0 95.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.858 -1.151 . . . . 0.0 108.587 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.03 -42.8 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -59.97 -40.27 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -1.0 . . . . 0.0 109.161 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.4 75.22 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.307 -1.496 . . . . 0.0 109.21 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.98 -40.12 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 110.657 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.63 -40.03 90.4 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.633 -1.227 . . . . 0.0 108.54 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.04 -41.57 96.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.935 -1.103 . . . . 0.0 109.339 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 41.8 m-85 -65.15 -39.93 93.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.342 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.82 -37.43 79.14 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.842 -1.161 . . . . 0.0 108.177 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.97 -39.38 85.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 108.195 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.31 -39.77 84.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.811 -1.181 . . . . 0.0 108.041 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.525 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.55 86.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.893 -1.129 . . . . 0.0 108.773 178.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.68 -34.17 61.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.834 -1.166 . . . . 0.0 108.819 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.63 -39.88 85.75 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.73 117.15 18.06 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.706 HD21 ' H ' ' B' ' 70' ' ' VAL . 67.4 m-80 -132.64 -69.23 0.58 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.188 -0.945 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.6 87.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -100.25 126.35 46.54 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.815 -0.553 . . . . 0.0 109.977 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 110.82 -4.35 29.05 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.785 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.45 25.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.012 -1.875 . . . . 0.0 109.364 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.566 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.45 102.23 14.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.441 -0.787 . . . . 0.0 109.562 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.56 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 18.4 m-85 -106.97 7.51 29.97 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.862 -1.149 . . . . 0.0 109.909 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -157.78 24.56 0.27 Allowed 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -144.54 152.59 40.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.661 -0.649 . . . . 0.0 109.51 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -111.01 57.5 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.88 159.95 43.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.489 -0.757 . . . . 0.0 109.984 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.46 134.43 55.22 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.21 121.64 37.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.416 -0.803 . . . . 0.0 110.788 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.21 123.14 49.23 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.706 ' H ' HD21 ' B' ' 56' ' ' ASN . 20.4 t -125.67 83.34 62.31 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.319 -0.863 . . . . 0.0 109.713 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.85 65.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.885 2.39 . . . . 0.0 112.043 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' B' ' 70' ' ' VAL . 47.7 t90 -68.67 130.36 91.93 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.896 -1.127 . . . . 0.0 108.705 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 62.4 Cg_exo -37.13 147.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.585 1.523 . . . . 0.0 112.005 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 40.7 t-20 -130.3 -60.15 1.01 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.427 -0.796 . . . . 0.0 109.51 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.56 126.16 36.55 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.829 -1.169 . . . . 0.0 109.025 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.1 p -80.35 108.44 13.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 mt -81.74 136.1 35.47 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.453 0.644 . . . . 0.0 109.888 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' B' ' 78' ' ' THR . 14.0 t -91.86 112.25 53.74 Favored Pre-proline 0 N--CA 1.492 1.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -92.89 -48.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 121.769 1.646 . . . . 0.0 114.952 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -121.24 -44.24 2.39 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.157 -0.964 . . . . 0.0 113.345 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.6 p90 -59.94 -51.52 69.34 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.31 -1.494 . . . . 0.0 112.075 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 2.0 t30 -79.72 -41.44 26.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.11 -1.619 . . . . 0.0 109.956 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.942 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -48.6 81.03 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.111 -0.993 . . . . 0.0 109.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 71.4 p -64.87 -39.99 94.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.135 -0.978 . . . . 0.0 109.901 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -60.95 -40.02 91.71 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.285 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -41.56 92.44 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.853 -1.155 . . . . 0.0 108.23 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.46 -39.98 95.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.444 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.5 t90 -59.99 -49.84 76.08 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.44 -44.63 95.6 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.32 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.66 -43.03 98.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.789 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.14 -42.19 94.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.682 -1.261 . . . . 0.0 109.611 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.92 -40.93 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 120.97 -1.081 . . . . 0.0 108.895 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.04 -44.89 96.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.518 -0.739 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -63.74 -41.7 97.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.728 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.9 90.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.123 -0.986 . . . . 0.0 108.819 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.27 -48.13 83.07 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.319 -0.863 . . . . 0.0 109.085 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -44.38 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.267 -0.895 . . . . 0.0 109.469 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.41 -44.14 96.02 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.307 -0.871 . . . . 0.0 109.512 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.46 -44.94 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 76.7 p -61.28 -41.02 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.924 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.89 99.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.148 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.65 -41.77 87.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.167 -0.958 . . . . 0.0 109.429 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.5 -46.25 90.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.978 . . . . 0.0 108.752 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.07 -48.1 83.14 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.04 -41.17 96.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.98 95.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 108.86 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -60.05 -46.92 87.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.301 -0.874 . . . . 0.0 109.551 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.247 -0.908 . . . . 0.0 109.132 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -65.4 -40.08 93.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 109.152 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.95 -49.59 77.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.389 -0.819 . . . . 0.0 109.368 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -63.06 -40.81 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.977 . . . . 0.0 109.318 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.93 -40.06 96.48 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.22 82.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.922 -1.111 . . . . 0.0 109.366 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -39.93 77.81 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -60.01 -47.4 85.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.567 -0.708 . . . . 0.0 109.455 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.98 91.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 109.545 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.09 -41.71 93.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.285 -0.884 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.9 mt-30 -60.23 -40.37 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.52 -39.99 89.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.251 -0.906 . . . . 0.0 109.194 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.68 -49.28 78.34 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.62 56.77 0.75 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 95.7 mt-30 -69.66 144.11 53.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.977 . . . . 0.0 109.095 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -89.2 59.87 5.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.988 -1.07 . . . . 0.0 108.888 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.94 -40.02 87.47 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.537 -0.727 . . . . 0.0 109.645 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -61.03 -42.3 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.489 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' C' ' 5' ' ' THR . 62.1 tp -60.58 -42.7 97.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -0.872 . . . . 0.0 108.99 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.15 -39.97 88.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.699 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.91 86.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.114 -0.992 . . . . 0.0 108.734 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.05 44.24 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.402 HG22 HD11 ' C' ' 10' ' ' ILE . 96.7 mt -60.07 -48.96 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.184 -1.186 . . . . 0.0 109.688 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -59.98 -40.99 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 120.994 -1.066 . . . . 0.0 108.641 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.86 -40.06 91.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.429 -0.795 . . . . 0.0 109.576 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.01 -41.34 91.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.581 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.47 89.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.99 . . . . 0.0 109.094 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.02 -43.32 95.34 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.347 -0.846 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.81 97.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.028 -1.045 . . . . 0.0 109.939 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.11 -41.0 95.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.244 -0.91 . . . . 0.0 109.17 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.05 -43.16 95.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . 0.451 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 55.6 t0 -59.97 -46.14 90.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.441 -0.787 . . . . 0.0 110.311 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.97 -40.04 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 109.79 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.02 -40.49 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.08 -1.012 . . . . 0.0 108.422 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.12 -40.07 94.65 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.451 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 23.7 mmt-85 -60.01 -40.24 88.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.02 -39.56 86.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 108.882 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -59.94 -48.77 80.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -0.94 . . . . 0.0 109.989 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -64.62 -40.07 94.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.643 -1.286 . . . . 0.0 109.681 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.23 -41.88 97.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.136 -0.978 . . . . 0.0 109.299 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.29 -40.01 88.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.1 -39.95 87.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 109.016 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.401 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.5 mt -64.1 -40.78 96.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.734 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.0 p -63.17 -39.99 96.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 109.43 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.05 -39.95 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -60.08 -42.62 94.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.376 -0.827 . . . . 0.0 109.889 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.16 -47.63 90.1 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.18 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -49.96 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.974 -1.309 . . . . 0.0 109.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.96 -40.07 91.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.219 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.431 ' O ' ' OG1' ' C' ' 40' ' ' THR . 28.4 t-20 -59.91 -40.07 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.98 -39.95 87.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 108.506 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.04 -39.71 86.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.581 ' HG1' ' N ' ' C' ' 41' ' ' ARG . 58.3 p -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.787 -1.196 . . . . 0.0 108.639 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.581 ' N ' ' HG1' ' C' ' 40' ' ' THR . 45.2 mtt-85 -62.75 -39.92 95.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.931 -1.106 . . . . 0.0 108.618 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.13 -42.69 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' C' ' 40' ' ' THR . 81.6 p -60.05 -40.13 88.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.063 -1.023 . . . . 0.0 109.178 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.37 74.78 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.415 -1.428 . . . . 0.0 109.218 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.84 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.568 -0.708 . . . . 0.0 110.593 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -40.01 91.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.753 -1.217 . . . . 0.0 108.578 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.18 -41.64 97.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.971 -1.081 . . . . 0.0 109.191 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 42.2 m-85 -64.99 -39.89 94.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.956 -1.09 . . . . 0.0 109.42 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.0 mt -59.79 -37.41 79.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.184 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.93 -39.5 85.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.932 -1.105 . . . . 0.0 108.152 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.38 -39.66 84.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.873 -1.142 . . . . 0.0 108.142 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -59.99 -39.62 86.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.022 -1.049 . . . . 0.0 108.803 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.36 62.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.976 -1.078 . . . . 0.0 108.811 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.27 -39.85 84.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -76.75 117.07 18.0 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.692 HD21 ' H ' ' C' ' 70' ' ' VAL . 68.1 m-80 -132.57 -69.5 0.58 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.21 -0.931 . . . . 0.0 109.135 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.34 87.32 1.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -100.27 126.79 46.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.716 -0.615 . . . . 0.0 109.918 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 110.18 -3.74 29.94 Favored Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.759 177.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.63 25.82 0.33 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 119.928 1.864 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.576 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.58 102.27 14.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.372 -0.83 . . . . 0.0 109.61 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 17.7 m-85 -106.97 7.52 29.96 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.855 -1.153 . . . . 0.0 109.902 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.78 24.86 0.27 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.82 152.44 40.31 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.742 -0.598 . . . . 0.0 109.497 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -110.88 57.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.91 159.93 43.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.487 -0.758 . . . . 0.0 110.003 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.56 134.41 55.24 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.23 121.81 37.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.298 -0.876 . . . . 0.0 110.837 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.47 123.11 49.29 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.692 ' H ' HD21 ' C' ' 56' ' ' ASN . 20.6 t -125.8 83.28 62.82 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.338 -0.851 . . . . 0.0 109.768 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.86 65.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.996 2.464 . . . . 0.0 112.068 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' C' ' 70' ' ' VAL . 47.3 t90 -68.9 130.18 91.78 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 120.991 -1.068 . . . . 0.0 108.786 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.462 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 59.7 Cg_exo -36.81 147.9 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.742 1.628 . . . . 0.0 111.996 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 41.1 t-20 -130.24 -60.26 1.01 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.34 -0.85 . . . . 0.0 109.39 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.65 126.36 36.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.098 -1.001 . . . . 0.0 108.963 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 13.4 p -80.65 108.73 14.53 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.13 136.15 35.2 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.494 0.664 . . . . 0.0 109.764 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.474 ' O ' ' CG2' ' C' ' 78' ' ' THR . 13.5 t -91.99 112.52 55.25 Favored Pre-proline 0 N--CA 1.491 1.593 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -93.16 -48.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.751 1.634 . . . . 0.0 114.896 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 -44.16 2.37 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.16 -0.962 . . . . 0.0 113.262 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.673 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.4 p90 -59.98 -51.69 68.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.379 -1.45 . . . . 0.0 111.997 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.673 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.9 t30 -79.77 -41.39 26.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.132 -1.605 . . . . 0.0 110.078 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.07 -49.63 76.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.111 -0.993 . . . . 0.0 109.863 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.01 -48.8 80.22 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 109.097 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 69.9 p -64.7 -40.01 94.64 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.335 -0.853 . . . . 0.0 109.798 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -61.07 -40.09 92.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.242 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.06 -41.61 92.74 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.253 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.52 -40.07 95.58 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 108.912 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.42 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -59.97 -49.85 76.05 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.39 -44.3 95.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.327 -0.858 . . . . 0.0 109.26 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.252 -0.905 . . . . 0.0 110.751 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.13 -42.28 94.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.656 -1.278 . . . . 0.0 109.426 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.7 -41.27 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.086 -1.009 . . . . 0.0 108.822 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.77 -44.82 96.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.0 110.676 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.93 -41.62 97.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.828 -1.17 . . . . 0.0 109.719 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.96 -41.14 91.59 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.129 -0.982 . . . . 0.0 108.724 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.94 -48.6 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.44 -0.788 . . . . 0.0 109.136 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -44.58 94.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.502 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -60.34 -43.99 95.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 0.0 109.53 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.47 -45.28 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 109.265 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 75.1 p -60.97 -41.18 95.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.913 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.41 99.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.953 -1.092 . . . . 0.0 109.372 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.17 -41.31 86.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.304 -0.872 . . . . 0.0 109.326 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.75 -46.59 88.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.135 -0.978 . . . . 0.0 108.698 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -47.77 84.49 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.26 -41.11 96.37 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.37 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.1 95.82 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.108 -0.995 . . . . 0.0 108.948 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.431 -0.793 . . . . 0.0 109.555 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.105 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -65.28 -40.08 93.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.06 -49.61 76.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.45 -0.781 . . . . 0.0 109.516 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.17 -40.67 98.22 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.271 -0.893 . . . . 0.0 109.267 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.88 -40.14 96.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.29 -0.881 . . . . 0.0 109.752 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.13 -40.12 82.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -40.03 77.77 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.98 -47.76 84.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.511 -0.743 . . . . 0.0 109.492 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -39.99 90.45 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -0.956 . . . . 0.0 109.486 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.02 -41.56 92.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.254 -0.904 . . . . 0.0 109.688 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.9 mt-30 -60.5 -40.74 92.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.142 -0.974 . . . . 0.0 109.621 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.0 -39.72 86.74 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.95 -49.18 78.68 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.04 57.03 0.76 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -71.59 144.89 49.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -89.38 59.95 5.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.106 -0.996 . . . . 0.0 109.335 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -65.47 -40.05 92.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.138 -0.976 . . . . 0.0 109.492 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -59.98 -43.0 95.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.082 -1.011 . . . . 0.0 109.38 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.04 -42.67 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.119 -0.988 . . . . 0.0 108.854 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.04 -38.96 84.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.45 -0.781 . . . . 0.0 109.657 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.64 57.09 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.443 HD11 HG22 ' A' ' 10' ' ' ILE . 96.6 mt -59.96 -48.73 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -1.097 . . . . 0.0 109.506 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.99 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 108.949 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.58 -39.97 89.97 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.504 -0.747 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -59.97 -41.42 91.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.0 109.596 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.63 -42.47 98.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.996 -1.065 . . . . 0.0 109.348 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.06 -45.32 93.25 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.204 -0.935 . . . . 0.0 109.095 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.15 -43.77 95.49 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.333 -0.854 . . . . 0.0 109.372 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.76 -40.67 97.99 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.242 -0.912 . . . . 0.0 109.589 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.97 -42.51 94.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.267 -0.896 . . . . 0.0 108.711 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.01 -48.28 82.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.36 -0.838 . . . . 0.0 109.846 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.29 -40.59 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.257 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.3 t -59.96 -48.47 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -64.68 -40.47 95.45 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.407 HH12 ' HG ' ' B' ' 103' ' ' LEU . 38.5 ttm180 -60.67 -39.98 90.39 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -42.04 93.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.014 . . . . 0.0 109.796 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.43 -41.79 94.74 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.761 -1.212 . . . . 0.0 109.081 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.37 -40.74 91.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.685 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' A' ' 31' ' ' THR . 97.1 mt -60.0 -40.07 87.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.454 -0.779 . . . . 0.0 109.475 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.02 -40.06 87.98 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.06 -1.025 . . . . 0.0 108.751 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.8 mt -62.25 -41.39 98.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 109.749 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 81.6 p -63.24 -40.08 96.43 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.037 -1.039 . . . . 0.0 109.638 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.21 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 109.19 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.04 -42.87 95.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.533 -0.729 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.11 71.22 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 119.611 -1.28 . . . . 0.0 110.276 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -59.93 -50.01 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -1.216 . . . . 0.0 110.009 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -60.59 -40.0 90.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.855 . . . . 0.0 109.637 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.69 HD22 HH21 ' A' ' 41' ' ' ARG . 39.9 t30 -59.97 -40.45 89.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.095 -1.003 . . . . 0.0 109.47 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.25 -40.01 88.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.937 -1.102 . . . . 0.0 109.234 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.08 -40.22 88.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 109.75 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.436 ' O ' ' OG1' ' A' ' 43' ' ' THR . 44.5 p -60.06 -42.81 95.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.889 -1.132 . . . . 0.0 108.667 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.69 HH21 HD22 ' A' ' 37' ' ' ASN . 28.7 mtt-85 -63.3 -40.1 96.43 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -40.27 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.532 -0.73 . . . . 0.0 109.835 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 40' ' ' THR . 51.4 p -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.011 -1.055 . . . . 0.0 109.106 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.08 79.36 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.402 -1.436 . . . . 0.0 108.855 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 45' ' ' ILE . 83.2 mt -63.69 -42.16 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.37 -39.89 94.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.286 -1.509 . . . . 0.0 108.452 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.88 -42.18 93.18 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.153 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.2 m-85 -64.3 -39.39 93.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.683 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD2' HE22 ' C' ' 52' ' ' GLN . 46.1 mt -59.8 -40.06 87.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.071 -1.018 . . . . 0.0 108.495 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.97 -1.082 . . . . 0.0 108.817 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.01 -42.2 93.8 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.208 -0.933 . . . . 0.0 109.565 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.407 HE22 ' CD2' ' B' ' 49' ' ' LEU . 31.8 mt-30 -60.64 -40.03 90.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.924 -1.11 . . . . 0.0 109.631 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.76 -32.95 67.97 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.106 -0.996 . . . . 0.0 108.572 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.63 -37.62 76.31 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -68.53 114.63 7.1 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.669 HD21 ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -133.98 -68.53 0.56 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.274 -0.891 . . . . 0.0 109.407 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.47 87.61 1.45 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.517 ' C ' ' H ' ' A' ' 60' ' ' ALA . 72.9 m95 -104.73 146.82 28.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.559 -0.713 . . . . 0.0 110.386 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 56.56 5.28 1.14 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -75.86 23.82 0.13 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.331 -1.1 . . . . 0.0 108.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.9 107.28 2.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.68 12.81 35.8 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.286 -0.883 . . . . 0.0 109.494 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 62.5 mtp180 -117.34 21.58 13.01 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.523 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.84 151.76 32.74 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.44 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.121 -0.987 . . . . 0.0 108.752 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.52 157.82 42.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.436 -0.79 . . . . 0.0 109.319 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -125.29 133.0 52.8 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.96 120.73 40.26 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 121.892 0.853 . . . . 0.0 111.229 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -114.2 123.88 50.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.669 ' H ' HD21 ' A' ' 56' ' ' ASN . 43.1 t -132.27 78.98 67.19 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.204 -0.935 . . . . 0.0 109.963 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.09 67.94 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 123.071 2.514 . . . . 0.0 112.264 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' PRO . 28.6 t90 -67.1 132.42 93.64 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 120.89 -1.131 . . . . 0.0 108.333 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 92.5 Cg_exo -37.64 147.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.54 1.493 . . . . 0.0 112.047 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.3 OUTLIER -130.54 -60.03 1.0 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 127.05 35.35 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.7 t -78.29 112.6 15.45 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.221 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.59 140.24 44.24 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.816 0.817 . . . . 0.0 110.179 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.561 ' OG1' ' CE2' ' A' ' 81' ' ' TRP . 6.8 t -135.27 87.39 28.19 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.422 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 24.2 Cg_endo -100.25 -43.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 123.258 2.638 . . . . 0.0 114.353 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.422 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 64.4 tttm -76.96 -44.87 29.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 112.99 -176.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.561 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 6.1 p90 -90.05 -28.78 18.81 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.465 -1.397 . . . . 0.0 112.821 -177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.543 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 31.1 t30 -77.48 -49.9 13.8 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.124 -1.61 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -60.25 -45.21 94.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.088 -1.007 . . . . 0.0 110.211 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.93 -45.37 92.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.966 -1.084 . . . . 0.0 108.637 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.3 p -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -67.57 -40.0 84.88 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.243 -0.91 . . . . 0.0 109.416 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.01 -40.82 90.58 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.893 -1.129 . . . . 0.0 108.25 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.48 -42.83 99.39 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 108.237 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.541 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.2 t90 -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.443 -0.786 . . . . 0.0 109.246 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.35 -40.47 95.93 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.862 . . . . 0.0 109.546 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.88 -42.29 99.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.03 -45.06 94.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.652 -1.28 . . . . 0.0 109.271 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.69 -40.99 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.63 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.09 -46.83 88.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.693 . . . . 0.0 110.138 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -68.83 -40.03 79.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.83 -1.169 . . . . 0.0 109.084 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.91 -41.49 91.38 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.462 -0.895 . . . . 0.0 108.923 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.19 -49.49 77.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.194 -0.941 . . . . 0.0 108.714 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' ' OG1' ' A' ' 101' ' ' THR . 89.0 tt0 -61.38 -40.03 92.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.581 -0.699 . . . . 0.0 109.197 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.439 ' O ' ' NH1' ' C' ' 23' ' ' ARG . 22.7 m120 -64.25 -40.34 95.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.803 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.4 -41.41 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.077 -1.015 . . . . 0.0 108.923 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 67.0 p -60.63 -40.0 90.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.78 80.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.268 -0.895 . . . . 0.0 109.233 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.425 ' HG ' HH12 ' C' ' 23' ' ' ARG . 82.0 mt -63.21 -40.09 96.5 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.949 -1.094 . . . . 0.0 108.752 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.54 -40.51 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 109.535 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.9 -50.08 75.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.088 -1.007 . . . . 0.0 108.9 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.57 94.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.321 -0.862 . . . . 0.0 109.376 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.57 98.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.832 . . . . 0.0 109.517 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.03 -49.54 77.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.205 -0.935 . . . . 0.0 109.613 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -47.53 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.246 -0.909 . . . . 0.0 109.439 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.427 ' NE2' ' OE1' ' C' ' 16' ' ' GLN . 77.9 mt-30 -68.74 -40.31 79.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.34 -50.02 75.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.091 -1.005 . . . . 0.0 109.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -64.14 -41.95 96.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.347 -0.846 . . . . 0.0 109.133 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -67.76 -39.99 84.13 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.644 -0.822 . . . . 0.0 108.949 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.99 -44.37 96.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.138 -0.976 . . . . 0.0 109.246 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.68 -40.02 80.29 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.251 -0.906 . . . . 0.0 108.93 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -60.02 -44.85 94.33 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.354 -0.841 . . . . 0.0 110.062 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.57 -40.46 94.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.975 -1.078 . . . . 0.0 109.5 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.18 -42.26 98.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.889 . . . . 0.0 109.559 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.5 mt-30 -61.65 -39.89 92.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.188 -0.945 . . . . 0.0 109.679 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -60.09 -38.55 83.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.733 . . . . 0.0 109.445 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.65 -46.73 88.13 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.99 62.25 1.51 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.435 -0.791 . . . . 0.0 109.608 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 117.986 -1.006 . . . . 0.0 109.335 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.221 0.534 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -71.57 145.17 49.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 109.533 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.9 60.3 4.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.166 -0.959 . . . . 0.0 109.328 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -65.5 -39.99 92.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.218 -0.926 . . . . 0.0 109.461 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -60.02 -42.93 95.39 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.168 -0.957 . . . . 0.0 109.488 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.13 -42.47 94.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 108.87 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.08 -39.23 85.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 109.544 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.06 87.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.041 -1.037 . . . . 0.0 108.658 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.37 -45.83 59.0 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -48.7 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -1.078 . . . . 0.0 109.56 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.03 -41.46 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.131 -0.98 . . . . 0.0 108.898 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.64 -39.97 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.192 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.94 -41.38 91.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.51 -0.744 . . . . 0.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.77 -42.47 99.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.044 -1.035 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.05 -45.25 93.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.036 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -43.08 97.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.403 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.33 -40.37 97.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.338 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.11 -42.62 95.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.233 -0.917 . . . . 0.0 108.724 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -60.04 -48.42 81.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 109.807 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.05 -40.47 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.986 -1.072 . . . . 0.0 109.392 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.08 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.69 -40.14 94.88 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.764 0.793 . . . . 0.0 108.976 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.418 HH12 ' HG ' ' C' ' 103' ' ' LEU . 38.6 ttm180 -60.82 -40.0 91.14 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.14 -39.97 88.19 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.333 -0.854 . . . . 0.0 108.834 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -59.96 -41.79 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.019 -1.05 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.85 -41.55 96.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.797 -1.189 . . . . 0.0 109.055 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.26 -40.81 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.479 -0.763 . . . . 0.0 109.709 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.408 ' O ' ' OG1' ' B' ' 31' ' ' THR . 97.1 mt -59.97 -40.04 87.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.463 -0.773 . . . . 0.0 109.567 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.92 -40.16 87.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.073 -1.017 . . . . 0.0 108.712 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -62.38 -41.12 98.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 81.7 p -63.38 -40.24 96.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.44 -41.02 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.388 -0.82 . . . . 0.0 109.214 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -60.12 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 110.263 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.01 72.33 Favored Glycine 0 N--CA 1.489 2.187 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.3 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.01 -50.09 75.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 0.0 109.858 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.51 -39.96 89.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 0.0 109.582 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.691 HD22 HH21 ' B' ' 41' ' ' ARG . 40.1 t30 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 0.0 109.552 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.69 -39.92 90.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.008 -1.057 . . . . 0.0 109.069 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.03 -40.28 88.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 109.812 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.427 ' O ' ' OG1' ' B' ' 43' ' ' THR . 44.6 p -60.04 -42.72 95.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.9 -1.125 . . . . 0.0 108.842 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.691 HH21 HD22 ' B' ' 37' ' ' ASN . 29.4 mtt-85 -63.4 -40.08 96.24 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -40.25 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.634 -0.666 . . . . 0.0 109.803 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 40' ' ' THR . 52.0 p -60.04 -40.02 87.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.897 -1.127 . . . . 0.0 109.079 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.16 -39.92 78.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.355 -1.465 . . . . 0.0 108.796 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.69 -42.38 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.395 -0.816 . . . . 0.0 111.727 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.17 -39.88 94.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.322 -1.486 . . . . 0.0 108.544 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.98 -41.97 93.15 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.12 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.5 m-85 -64.19 -39.44 94.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.095 -1.003 . . . . 0.0 109.723 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.407 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.9 mt -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.074 -1.016 . . . . 0.0 108.458 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -60.25 -40.08 89.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.008 -1.057 . . . . 0.0 108.858 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.95 -42.05 93.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.212 -0.93 . . . . 0.0 109.599 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.433 HE22 ' CD2' ' C' ' 49' ' ' LEU . 31.6 mt-30 -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.923 -1.11 . . . . 0.0 109.493 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.07 67.61 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.138 -0.976 . . . . 0.0 108.683 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.67 -37.63 76.43 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.56 114.55 7.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.661 HD21 ' H ' ' B' ' 70' ' ' VAL . 71.3 m-80 -133.93 -69.01 0.54 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.285 -0.884 . . . . 0.0 109.4 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 87.65 1.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.514 ' C ' ' H ' ' B' ' 60' ' ' ALA . 73.0 m95 -104.92 146.21 29.34 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.533 -0.73 . . . . 0.0 110.286 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 56.97 4.88 1.13 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -75.24 24.08 0.1 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.437 -1.037 . . . . 0.0 108.902 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.09 107.3 2.26 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 110.367 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.73 12.69 35.93 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.159 -0.963 . . . . 0.0 109.627 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.509 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 62.5 mtp180 -117.22 21.53 13.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.54 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.77 151.47 32.4 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.27 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 108.775 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.79 43.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.455 -0.778 . . . . 0.0 109.345 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -125.52 132.98 52.51 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.94 120.87 40.47 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.299 -0.875 . . . . 0.0 111.267 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -114.19 123.83 50.55 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.661 ' H ' HD21 ' B' ' 56' ' ' ASN . 43.7 t -132.12 78.99 67.77 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.27 -0.894 . . . . 0.0 110.031 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.15 68.03 0.22 Allowed 'Trans proline' 0 N--CA 1.499 1.794 0 C-N-CA 123.115 2.544 . . . . 0.0 112.236 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -67.08 132.59 93.67 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 120.88 -1.137 . . . . 0.0 108.404 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -37.74 147.18 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 121.536 1.491 . . . . 0.0 111.904 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.532 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -130.42 -60.07 1.01 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.93 127.08 35.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -78.38 112.72 15.69 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.334 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.58 140.21 44.23 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.916 0.865 . . . . 0.0 110.198 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.565 ' OG1' ' CE2' ' B' ' 81' ' ' TRP . 6.6 t -135.28 87.49 27.92 Favored Pre-proline 0 N--CA 1.494 1.73 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.417 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 23.3 Cg_endo -100.14 -44.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 123.225 2.617 . . . . 0.0 114.397 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . 0.417 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 64.4 tttm -76.9 -45.15 29.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.214 -0.929 . . . . 0.0 113.05 -176.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.565 ' CE2' ' OG1' ' B' ' 78' ' ' THR . 5.8 p90 -89.34 -29.81 18.87 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 120.501 -1.375 . . . . 0.0 112.865 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.524 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 32.3 t30 -77.02 -49.93 14.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.152 -1.593 . . . . 0.0 110.539 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.08 -45.4 93.04 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.861 -1.149 . . . . 0.0 110.252 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -45.1 93.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.039 -1.038 . . . . 0.0 108.568 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 45.7 p -70.02 -39.98 75.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.348 -0.845 . . . . 0.0 108.748 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -67.56 -39.95 84.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 0.0 109.389 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -60.03 -40.69 90.19 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.802 -1.186 . . . . 0.0 108.281 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.63 -42.86 99.48 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.518 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.7 t90 -60.0 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.174 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.31 -40.46 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.244 -0.91 . . . . 0.0 109.449 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 110.231 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.09 -45.26 93.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.623 -1.298 . . . . 0.0 109.255 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.49 -40.8 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.141 -0.974 . . . . 0.0 108.641 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -59.97 -47.38 86.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.464 -0.773 . . . . 0.0 110.171 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.59 -40.01 80.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.837 -1.165 . . . . 0.0 109.192 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.79 -41.68 91.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.26 -0.9 . . . . 0.0 108.897 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.06 -49.51 77.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.156 -0.965 . . . . 0.0 108.857 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' B' ' 101' ' ' THR . 88.9 tt0 -61.36 -40.01 92.73 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.517 -0.739 . . . . 0.0 109.057 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.43 -40.42 95.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.298 -0.876 . . . . 0.0 109.879 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.27 -41.42 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 0.0 108.978 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 98' ' ' GLU . 69.2 p -60.45 -39.99 89.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 109.431 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.0 79.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.32 -0.863 . . . . 0.0 109.109 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.407 ' HG ' HH12 ' A' ' 23' ' ' ARG . 82.2 mt -63.06 -40.05 96.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.905 -1.122 . . . . 0.0 108.801 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.64 -40.54 92.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.091 -1.006 . . . . 0.0 109.478 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.01 -49.81 76.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 108.819 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -41.1 94.99 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.307 -0.871 . . . . 0.0 109.486 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -60.08 -49.58 77.1 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.116 -0.99 . . . . 0.0 109.518 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -47.49 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.191 -0.943 . . . . 0.0 109.427 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.9 -39.99 79.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 110.12 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -60.64 -50.05 75.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.709 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -64.03 -41.58 97.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.288 -0.883 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -68.24 -39.94 82.13 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.724 -0.79 . . . . 0.0 108.975 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.95 -44.32 97.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.92 -40.0 79.3 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.276 -0.89 . . . . 0.0 108.714 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.0 -44.91 94.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.44 -0.788 . . . . 0.0 110.143 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.5 -40.58 95.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.932 -1.105 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.94 -42.69 98.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.335 -0.853 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -61.36 -40.0 92.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -60.02 -38.78 83.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.454 -0.779 . . . . 0.0 109.463 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.44 -46.47 88.66 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -129.03 62.12 1.51 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.401 -0.812 . . . . 0.0 109.58 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.857 0 O-C-N 121.066 -1.021 . . . . 0.0 109.309 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.215 0.531 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.58 144.97 49.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 0.0 109.579 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 60.2 4.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.119 -0.988 . . . . 0.0 109.331 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -65.44 -40.03 92.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 109.468 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -59.96 -42.83 94.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.094 -1.003 . . . . 0.0 109.452 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.17 -42.53 95.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 108.835 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.1 -39.25 85.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.468 -0.77 . . . . 0.0 109.579 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.63 58.78 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.432 HD11 HG22 ' C' ' 10' ' ' ILE . 96.6 mt -60.01 -48.9 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.424 -1.045 . . . . 0.0 109.49 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.93 -41.28 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 108.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.74 -39.97 90.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.785 . . . . 0.0 109.092 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.98 -41.16 91.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.473 -0.767 . . . . 0.0 109.692 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.81 -42.39 98.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.028 -1.045 . . . . 0.0 109.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.0 -45.26 93.32 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.342 -0.849 . . . . 0.0 108.999 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 27.2 mt-30 -60.48 -43.53 96.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.317 -0.865 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.88 -40.53 97.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.0 109.501 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.02 -42.63 94.76 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.695 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.88 -48.11 83.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.856 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -60.48 -40.49 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 0.0 109.31 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.01 -48.34 88.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.92 -40.31 94.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 99' ' ' ASN . 38.6 ttm180 -60.91 -39.82 90.77 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.13 -39.95 88.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 108.892 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.05 -41.72 92.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.8 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.88 -41.28 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.743 -1.223 . . . . 0.0 109.096 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.77 -40.71 93.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.504 -0.748 . . . . 0.0 109.668 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.408 ' O ' ' OG1' ' C' ' 31' ' ' THR . 96.9 mt -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.38 -0.825 . . . . 0.0 109.5 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.05 -40.13 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.03 -1.044 . . . . 0.0 108.725 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.541 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.0 mt -62.16 -41.26 98.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.944 . . . . 0.0 109.724 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 81.9 p -63.26 -40.06 96.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.035 -1.041 . . . . 0.0 109.641 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.334 -0.854 . . . . 0.0 109.263 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.03 -43.02 95.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.422 -0.799 . . . . 0.0 110.221 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -50.24 69.84 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.646 -1.264 . . . . 0.0 110.237 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -59.98 -49.97 75.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -1.21 . . . . 0.0 109.909 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.62 -40.05 90.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.931 . . . . 0.0 109.642 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.692 HD22 HH21 ' C' ' 41' ' ' ARG . 39.9 t30 -60.03 -40.12 88.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.54 -40.07 90.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.256 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.99 -40.27 88.56 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.304 -0.872 . . . . 0.0 109.81 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' C' ' 43' ' ' THR . 44.5 p -60.06 -42.63 94.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.887 -1.133 . . . . 0.0 108.764 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.692 HH21 HD22 ' C' ' 37' ' ' ASN . 29.5 mtt-85 -63.48 -39.97 95.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.16 -40.15 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.536 -0.728 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' C' ' 40' ' ' THR . 52.9 p -60.01 -39.98 87.65 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.002 -1.061 . . . . 0.0 109.164 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.04 78.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.291 -1.505 . . . . 0.0 108.834 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.404 HD11 HG22 ' C' ' 45' ' ' ILE . 83.0 mt -63.37 -42.53 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.511 -0.743 . . . . 0.0 111.739 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.02 -39.85 93.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.325 -1.484 . . . . 0.0 108.535 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -59.99 -42.02 93.32 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.146 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 36.6 m-85 -64.21 -39.58 94.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.235 -0.915 . . . . 0.0 109.692 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . 0.433 ' CD2' HE22 ' B' ' 52' ' ' GLN . 44.9 mt -59.63 -39.91 85.88 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.015 -1.053 . . . . 0.0 108.567 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.19 -40.01 88.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.075 -1.015 . . . . 0.0 108.783 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.03 -41.94 93.3 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.096 -1.002 . . . . 0.0 109.641 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.419 HE22 ' CD2' ' A' ' 49' ' ' LEU . 31.4 mt-30 -61.03 -39.99 91.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.989 -1.069 . . . . 0.0 109.552 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -32.95 67.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.112 -0.992 . . . . 0.0 108.599 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.77 -37.52 76.45 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.75 114.45 7.11 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.613 HD21 ' H ' ' C' ' 70' ' ' VAL . 71.3 m-80 -133.72 -68.71 0.56 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.257 -0.902 . . . . 0.0 109.424 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.29 87.73 1.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.8 m95 -104.98 146.62 28.79 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.543 -0.723 . . . . 0.0 110.321 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 56.65 5.18 1.13 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -75.62 23.79 0.12 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.405 -1.056 . . . . 0.0 108.845 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.76 107.38 2.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.966 . . . . 0.0 110.398 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -102.67 12.81 35.82 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.263 -0.898 . . . . 0.0 109.603 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 62.7 mtp180 -117.3 21.45 13.11 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.523 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.75 151.6 32.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.8 t -108.24 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.169 -0.957 . . . . 0.0 108.672 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.36 157.96 43.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -125.78 132.8 52.22 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.86 120.63 40.08 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.84 0.829 . . . . 0.0 111.253 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' C' ' 69' ' ' THR . 15.0 t -114.02 124.02 51.11 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.613 ' H ' HD21 ' C' ' 56' ' ' ASN . 43.9 t -132.36 78.76 67.32 Favored Pre-proline 0 N--CA 1.502 2.154 0 O-C-N 121.154 -0.967 . . . . 0.0 109.931 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.94 67.87 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.055 2.504 . . . . 0.0 112.25 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' C' ' 73' ' ' PRO . 27.8 t90 -67.01 132.54 93.79 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 94.6 Cg_exo -37.52 147.28 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.572 1.514 . . . . 0.0 111.993 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.3 OUTLIER -130.55 -60.01 1.0 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.02 127.07 35.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -78.35 112.87 15.81 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.256 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.81 140.17 43.77 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.817 0.818 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.561 ' OG1' ' CE2' ' C' ' 81' ' ' TRP . 6.7 t -135.2 87.49 28.35 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . 0.41 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 27.1 Cg_endo -100.15 -44.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.306 2.671 . . . . 0.0 114.273 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . 0.41 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 64.3 tttm -76.81 -45.21 29.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 112.954 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.561 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 6.2 p90 -89.57 -29.0 19.19 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 120.543 -1.348 . . . . 0.0 112.954 -177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.531 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 31.5 t30 -77.4 -50.11 13.44 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.117 -1.615 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.19 -45.13 94.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -45.26 93.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.978 -1.076 . . . . 0.0 108.643 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.3 p -70.04 -39.98 75.41 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -67.56 -39.95 84.94 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.362 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.07 -40.69 90.37 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.945 -1.097 . . . . 0.0 108.26 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.69 -42.71 99.3 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.073 -1.017 . . . . 0.0 108.283 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.98 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.5 -0.75 . . . . 0.0 109.254 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.54 -40.69 96.06 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.344 -0.847 . . . . 0.0 109.531 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.71 -42.16 99.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.0 110.159 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.95 -45.47 92.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.634 -1.292 . . . . 0.0 109.215 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.34 -40.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.142 -0.973 . . . . 0.0 108.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.01 -46.9 87.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.455 -0.778 . . . . 0.0 110.175 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.84 -39.98 79.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 109.134 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -41.69 89.96 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.867 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.07 -1.019 . . . . 0.0 108.756 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' C' ' 101' ' ' THR . 89.0 tt0 -61.32 -40.14 93.1 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.561 -0.712 . . . . 0.0 109.103 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.39 -40.09 95.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.891 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.49 -41.47 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.149 -0.97 . . . . 0.0 108.866 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' C' ' 98' ' ' GLU . 67.4 p -60.53 -39.93 89.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.26 -0.9 . . . . 0.0 109.463 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.74 80.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.841 . . . . 0.0 109.245 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . 0.418 ' HG ' HH12 ' B' ' 23' ' ' ARG . 83.1 mt -63.24 -39.99 96.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.924 -1.11 . . . . 0.0 108.82 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.74 -40.43 92.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 109.459 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.07 -49.93 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.113 -0.992 . . . . 0.0 108.784 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.57 -41.56 94.85 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.443 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.48 98.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 109.557 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -59.97 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.147 -0.971 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.28 -47.66 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.318 -0.864 . . . . 0.0 109.287 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.71 -40.1 80.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 110.173 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -60.45 -50.01 75.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.153 -0.967 . . . . 0.0 109.808 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -64.29 -41.94 96.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.402 -0.812 . . . . 0.0 109.145 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -67.82 -39.97 83.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.344 -0.848 . . . . 0.0 108.977 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.07 -43.71 98.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.24 -39.98 78.18 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.282 -0.886 . . . . 0.0 108.739 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.04 -44.77 94.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.451 -0.781 . . . . 0.0 110.068 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.54 -40.47 94.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.039 -1.038 . . . . 0.0 109.511 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.23 -42.38 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.7 mt-30 -61.68 -40.02 93.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 109.525 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -60.01 -38.12 81.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.97 -46.44 89.44 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -129.3 62.24 1.52 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.387 -0.82 . . . . 0.0 109.538 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.195 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.436 ' H1 ' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.436 ' H ' ' H1 ' ' A' ' 1' ' ' ALA . 88.1 mt-30 -74.19 144.24 44.85 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.73 59.19 4.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.035 -1.041 . . . . 0.0 108.801 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.436 HH12 HD21 ' A' ' 122' ' ' ASN . 87.8 mtm180 -65.03 -40.04 94.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.555 -0.715 . . . . 0.0 109.128 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 13.8 t -60.31 -43.87 95.95 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.394 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 5' ' ' THR . 63.7 tp -62.55 -42.21 99.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.153 -0.967 . . . . 0.0 108.831 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.2 -40.05 92.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.558 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.38 88.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 0.0 108.543 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.64 -45.46 58.91 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.02 -47.63 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.333 -1.098 . . . . 0.0 109.418 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.462 HE22 ' CG ' ' A' ' 16' ' ' GLN . 17.7 tm0? -61.37 -40.07 92.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 109.261 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -60.04 -44.22 94.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.358 -0.838 . . . . 0.0 109.949 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.43 -40.54 91.44 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.08 -43.12 95.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' HE22 ' A' ' 12' ' ' GLN . 28.7 mt-30 -61.74 -40.44 95.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.147 -0.971 . . . . 0.0 109.25 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.41 -40.39 93.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.0 109.576 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.64 -41.11 98.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 0.0 108.958 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -59.94 -49.31 78.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 109.935 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.98 -40.93 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.97 . . . . 0.0 109.836 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -43.29 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.294 -0.879 . . . . 0.0 108.932 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.14 -40.03 95.29 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.523 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 29.8 mmt180 -60.78 -40.17 91.57 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.45 -0.781 . . . . 0.0 109.403 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.03 -43.19 95.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.293 -0.88 . . . . 0.0 109.734 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.76 -39.97 79.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 109.338 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 tp -63.11 -40.26 97.1 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.402 -0.811 . . . . 0.0 109.172 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.408 -0.808 . . . . 0.0 109.563 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.21 -40.0 88.56 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.04 -1.038 . . . . 0.0 109.64 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 83.6 mt -62.12 -41.69 98.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 0.0 110.018 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.0 -39.94 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.738 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.32 -40.3 85.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.269 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -59.94 -43.1 95.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.292 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.0 93.09 Favored Glycine 0 N--CA 1.489 2.173 0 C-N-CA 119.459 -1.353 . . . . 0.0 109.795 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.01 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -1.135 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -59.89 -40.09 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.07 -1.019 . . . . 0.0 109.998 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.24 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.92 -40.09 87.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 0.0 109.025 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -59.96 -40.03 87.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.259 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 43' ' ' THR . 44.2 p -60.03 -41.2 91.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.897 -1.127 . . . . 0.0 108.4 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.571 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.3 mtt-85 -63.24 -40.07 96.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.122 -0.986 . . . . 0.0 108.573 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.95 -41.16 85.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.164 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 40' ' ' THR . 80.5 p -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.832 -1.168 . . . . 0.0 109.187 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.98 77.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 45' ' ' ILE . 85.6 mt -61.31 -44.02 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.526 -0.734 . . . . 0.0 111.013 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.21 -39.84 91.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.569 -1.332 . . . . 0.0 108.159 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -60.04 -43.15 95.53 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.768 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.493 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.4 m-85 -65.62 -40.03 92.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.963 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.15 -40.12 88.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 108.504 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.0 -39.71 86.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.391 -0.818 . . . . 0.0 109.173 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.67 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.883 -1.136 . . . . 0.0 108.901 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.34 78.9 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.929 -1.107 . . . . 0.0 108.431 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 0.0 108.696 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.95 117.74 11.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.102 -0.999 . . . . 0.0 108.315 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.684 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 68.7 m-80 -132.6 -62.94 0.8 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.428 -0.795 . . . . 0.0 110.647 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.412 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -155.18 116.92 4.08 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -103.34 131.45 50.4 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 110.251 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 65.57 20.78 68.3 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.93 -1.128 . . . . 0.0 110.619 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.1 22.75 0.11 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.883 -1.363 . . . . 0.0 109.043 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.91 107.44 1.28 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.171 -0.956 . . . . 0.0 109.473 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -108.8 11.96 25.91 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.181 -0.949 . . . . 0.0 110.208 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.2 mtp180 -141.9 25.27 1.96 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.078 -1.014 . . . . 0.0 109.004 177.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.28 152.71 39.61 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.39 59.11 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.219 -0.926 . . . . 0.0 109.228 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 156.22 41.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -131.25 133.26 45.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -91.86 114.55 27.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.918 -1.114 . . . . 0.0 109.252 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.6 t -112.7 119.89 39.64 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.684 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 85.6 t -122.71 86.13 49.56 Favored Pre-proline 0 N--CA 1.497 1.893 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -87.0 63.55 4.33 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.885 2.39 . . . . 0.0 111.868 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.431 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 17.2 t90 -70.03 136.78 87.15 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.402 -0.811 . . . . 0.0 109.148 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 86.9 Cg_exo -42.32 146.76 0.64 Allowed 'Trans proline' 0 N--CA 1.488 1.186 0 C-N-CA 120.974 1.116 . . . . 0.0 110.174 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.679 HD22 ' NE2' ' C' ' 52' ' ' GLN . 55.6 t30 -132.22 4.46 4.06 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.273 -0.892 . . . . 0.0 109.43 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.26 123.51 7.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -81.73 106.97 14.08 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.8 mt -79.11 136.66 37.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.478 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 78' ' ' THR . 8.8 t -90.43 111.58 48.12 Favored Pre-proline 0 N--CA 1.496 1.846 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -92.67 -49.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.089 0 C-N-CA 121.871 1.714 . . . . 0.0 114.838 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.19 -42.76 2.46 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.23 -50.07 75.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.169 -1.582 . . . . 0.0 111.811 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 57.0 t30 -72.99 -41.68 64.07 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.236 -1.54 . . . . 0.0 110.519 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.04 -50.13 74.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.078 -1.014 . . . . 0.0 110.518 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.91 -44.46 96.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.86 -1.15 . . . . 0.0 109.504 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 p -69.84 -40.05 76.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 110.142 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 30.1 t-105 -66.17 -40.04 90.19 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.898 -1.126 . . . . 0.0 109.427 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -59.98 -42.97 95.34 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 120.595 -1.316 . . . . 0.0 108.114 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.98 -41.4 91.95 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.466 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 58.4 t90 -60.06 -49.29 78.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.495 -0.753 . . . . 0.0 108.981 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.62 -40.03 95.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.168 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.13 -46.66 88.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 110.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.95 -42.43 94.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.943 -1.098 . . . . 0.0 110.059 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.24 -41.97 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.881 -1.137 . . . . 0.0 108.949 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.92 -47.1 87.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.266 -0.896 . . . . 0.0 110.318 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.23 -40.01 93.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.854 -1.153 . . . . 0.0 109.737 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.84 -41.36 87.55 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 109.016 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.53 -49.21 78.46 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 108.89 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.63 -44.1 96.74 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.284 -0.885 . . . . 0.0 109.279 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.497 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.3 t-20 -60.02 -48.39 81.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 109.417 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.93 -44.75 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.329 -0.857 . . . . 0.0 109.62 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -42.82 95.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.024 -1.047 . . . . 0.0 109.198 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.1 -47.58 85.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 0.0 108.961 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.0 -46.82 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.429 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.19 -41.2 96.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.287 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.03 -47.81 84.29 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.219 -0.926 . . . . 0.0 109.14 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.29 -40.24 93.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.21 95.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.333 -0.854 . . . . 0.0 109.53 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.97 -48.55 81.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.043 -1.035 . . . . 0.0 109.636 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.43 -46.1 93.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.228 -0.92 . . . . 0.0 109.354 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.85 -40.87 95.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.04 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 108.804 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.99 -42.53 94.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.626 -0.671 . . . . 0.0 109.514 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -61.0 -39.96 91.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.608 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -64.51 -40.24 95.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.917 -1.114 . . . . 0.0 109.257 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 115' ' ' MET . 1.4 tmt? -69.56 -39.96 77.08 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.504 ' OH ' ' NZ ' ' A' ' 120' ' ' LYS . 65.1 t80 -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.437 -0.789 . . . . 0.0 109.318 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.932 . . . . 0.0 108.615 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.483 -0.76 . . . . 0.0 109.338 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.41 95.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.954 -1.092 . . . . 0.0 109.879 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.504 ' NZ ' ' OH ' ' A' ' 116' ' ' TYR . 39.6 mmtm -60.07 -39.49 86.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.107 -0.995 . . . . 0.0 109.17 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.0 mt -59.38 -46.57 88.3 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.436 HD21 HH12 ' A' ' 4' ' ' ARG . 14.9 t-20 -125.0 60.11 1.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.636 -0.665 . . . . 0.0 109.318 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.166 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -73.94 144.29 45.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.81 59.2 4.96 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.149 -0.969 . . . . 0.0 108.67 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.429 HH12 HD21 ' B' ' 122' ' ' ASN . 87.7 mtm180 -65.23 -39.97 93.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.502 -0.749 . . . . 0.0 109.131 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.0 t -60.2 -43.95 95.53 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.303 -0.873 . . . . 0.0 109.416 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.6 tp -62.67 -41.97 99.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.141 -0.975 . . . . 0.0 108.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.43 -40.04 93.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.264 -0.897 . . . . 0.0 109.455 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.71 90.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.158 -0.964 . . . . 0.0 108.539 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -45.63 62.02 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.95 -47.58 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.271 -1.135 . . . . 0.0 109.312 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.1 -40.39 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . 0.452 HE22 ' CG ' ' B' ' 16' ' ' GLN . 17.8 tm0? -61.64 -39.98 93.27 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -60.05 -44.59 94.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.13 -40.52 90.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -0.921 . . . . 0.0 109.893 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.145 -0.972 . . . . 0.0 109.348 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.452 ' CG ' HE22 ' B' ' 12' ' ' GLN . 28.6 mt-30 -62.03 -40.63 96.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.3 -40.32 93.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.414 -0.804 . . . . 0.0 109.48 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.83 -40.92 98.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.223 -0.923 . . . . 0.0 109.006 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -60.02 -49.43 77.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 0.0 109.903 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.06 -40.86 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.847 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -43.22 92.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.298 -0.876 . . . . 0.0 108.986 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.16 -40.0 95.2 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.582 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 29.9 mmt180 -60.88 -40.06 91.58 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.18 -40.06 88.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.402 -0.811 . . . . 0.0 109.358 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -59.93 -43.38 94.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.717 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.56 -39.98 80.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.93 -1.106 . . . . 0.0 109.269 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.16 -40.1 96.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.215 -0.928 . . . . 0.0 109.098 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.13 -40.27 89.21 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.66 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.32 -39.97 88.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.435 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.1 mt -62.04 -41.51 98.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.153 -0.967 . . . . 0.0 110.066 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.02 -40.07 95.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.0 109.77 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.18 -40.46 85.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.277 -0.889 . . . . 0.0 109.299 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.94 -43.36 95.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.442 -0.786 . . . . 0.0 110.31 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.34 -47.0 92.99 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -49.21 78.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.185 -1.185 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.96 -40.0 87.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.118 -0.989 . . . . 0.0 110.029 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.97 -40.1 87.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.103 -0.998 . . . . 0.0 109.15 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.032 -1.043 . . . . 0.0 109.085 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.03 -39.87 87.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 0.0 109.407 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 44.4 p -60.16 -41.13 92.17 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.863 -1.148 . . . . 0.0 108.256 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.624 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.6 mtt-85 -63.24 -39.98 96.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.212 -0.93 . . . . 0.0 108.667 177.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -41.13 85.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.076 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 40' ' ' THR . 80.6 p -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.854 -1.154 . . . . 0.0 109.223 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.02 76.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.824 -1.173 . . . . 0.0 109.125 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.416 HD11 HG22 ' B' ' 45' ' ' ILE . 86.9 mt -60.97 -44.19 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 111.11 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.19 -39.91 91.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.433 -1.417 . . . . 0.0 108.141 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.01 -43.19 95.4 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.194 -1.003 . . . . 0.0 108.769 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.509 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 36.0 m-85 -65.54 -39.97 92.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.937 -1.102 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.25 -40.02 88.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.79 -1.194 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 108.529 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.02 -39.65 86.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.69 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.91 -40.1 87.69 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.791 -1.193 . . . . 0.0 108.93 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.45 78.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 120.869 -1.144 . . . . 0.0 108.489 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 108.768 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.67 117.63 11.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 0.0 108.402 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.68 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 68.7 m-80 -132.55 -63.22 0.8 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.362 -0.836 . . . . 0.0 110.597 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.97 116.68 4.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.111 -0.993 . . . . 0.0 110.349 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.409 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 92.0 m95 -102.98 131.71 49.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.559 -0.713 . . . . 0.0 110.229 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.54 20.56 68.02 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.567 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.16 23.01 0.11 Allowed 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.939 -1.33 . . . . 0.0 109.136 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -162.02 107.41 1.26 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -108.5 11.83 26.55 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.133 -0.979 . . . . 0.0 110.231 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.538 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.0 mtp180 -141.95 25.57 1.93 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.098 -1.001 . . . . 0.0 109.017 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.56 152.7 39.37 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -103.4 59.42 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 109.295 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.51 156.16 40.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.45 -0.782 . . . . 0.0 109.403 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -131.43 133.44 45.21 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.2 t -92.09 114.75 27.38 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.9 -1.125 . . . . 0.0 109.276 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -112.93 119.9 39.55 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.68 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 87.3 t -122.91 86.06 50.49 Favored Pre-proline 0 N--CA 1.496 1.842 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.11 63.28 4.21 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.902 2.401 . . . . 0.0 111.93 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.435 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 16.7 t90 -69.7 136.78 87.94 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.186 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.435 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 86.3 Cg_exo -42.45 146.56 0.71 Allowed 'Trans proline' 0 N--CA 1.487 1.129 0 C-N-CA 120.899 1.066 . . . . 0.0 110.309 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.67 HD22 ' NE2' ' A' ' 52' ' ' GLN . 55.7 t30 -131.94 4.24 4.13 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.355 -0.841 . . . . 0.0 109.498 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.41 7.83 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.5 107.18 14.05 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -79.21 136.94 37.23 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' B' ' 78' ' ' THR . 9.0 t -90.57 111.69 49.0 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.63 -49.52 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.163 0 C-N-CA 121.63 1.553 . . . . 0.0 114.73 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.14 -42.98 2.45 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.9 p90 -59.02 -50.03 75.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.182 -1.574 . . . . 0.0 111.729 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.1 t30 -72.87 -41.94 64.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.215 -1.553 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -50.08 75.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.993 . . . . 0.0 110.679 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.07 -44.39 96.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 47.5 p -70.08 -39.97 75.28 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.213 -0.929 . . . . 0.0 110.16 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.458 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 30.1 t-105 -66.18 -39.96 90.11 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.84 -1.162 . . . . 0.0 109.369 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.05 -42.83 95.3 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.567 -1.333 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.14 -41.55 92.95 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.458 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 59.0 t90 -60.01 -48.74 80.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.507 -0.746 . . . . 0.0 109.183 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.23 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.091 -1.006 . . . . 0.0 109.131 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.97 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.268 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -59.96 -42.27 93.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.884 -1.135 . . . . 0.0 110.002 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.08 -42.13 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.932 -1.105 . . . . 0.0 109.057 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.3 t0 -59.98 -46.86 88.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.375 -0.828 . . . . 0.0 110.497 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.55 -39.94 92.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.846 -1.159 . . . . 0.0 109.703 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.63 -41.62 88.05 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.026 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.19 -49.21 78.52 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.128 -0.983 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.86 -43.73 97.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.304 -0.872 . . . . 0.0 109.42 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.523 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.4 t-20 -60.07 -48.37 82.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.05 -44.88 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.344 -0.847 . . . . 0.0 109.603 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -59.93 -42.9 94.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.153 -0.967 . . . . 0.0 109.199 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.73 84.7 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.155 -0.965 . . . . 0.0 108.748 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.93 -46.72 88.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.425 -0.797 . . . . 0.0 109.544 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.28 -41.14 96.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.244 -0.91 . . . . 0.0 109.257 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.03 -47.83 84.24 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.274 -0.891 . . . . 0.0 109.151 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.38 -40.08 93.06 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.22 94.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.286 -0.884 . . . . 0.0 109.502 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.06 -48.73 80.52 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.12 -46.34 93.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.228 -0.92 . . . . 0.0 109.155 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.48 -40.99 96.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.94 -50.09 75.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.154 -0.967 . . . . 0.0 108.875 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.531 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -61.18 -39.99 92.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.219 -0.926 . . . . 0.0 109.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.34 -40.01 95.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.978 -1.076 . . . . 0.0 109.234 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' B' ' 115' ' ' MET . 1.4 tmt? -69.74 -40.05 76.4 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . 0.516 ' OH ' ' NZ ' ' B' ' 120' ' ' LYS . 65.2 t80 -59.99 -47.25 86.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.452 -0.78 . . . . 0.0 109.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.99 -40.19 88.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.446 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.3 95.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.877 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . 0.516 ' NZ ' ' OH ' ' B' ' 116' ' ' TYR . 39.7 mmtm -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.111 -0.993 . . . . 0.0 109.13 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.33 -46.81 87.58 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . 0.429 HD21 HH12 ' B' ' 4' ' ' ARG . 15.1 t-20 -124.7 59.93 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.683 -0.636 . . . . 0.0 109.537 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.468 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.434 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.244 0.545 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.434 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 88.1 mt-30 -74.11 144.32 44.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.211 -0.931 . . . . 0.0 109.239 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.8 59.16 4.94 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.037 -1.039 . . . . 0.0 108.655 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.443 HH12 HD21 ' C' ' 122' ' ' ASN . 87.8 mtm180 -65.02 -39.94 94.13 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.492 -0.755 . . . . 0.0 109.177 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.2 t -60.31 -43.96 95.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.353 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.444 ' N ' ' CG2' ' C' ' 5' ' ' THR . 62.8 tp -62.56 -42.1 99.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 108.697 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.3 -40.1 92.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.32 -0.862 . . . . 0.0 109.616 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.27 88.48 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.207 -0.933 . . . . 0.0 108.554 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.51 -45.37 60.06 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -47.73 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.398 -1.06 . . . . 0.0 109.365 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.96 -40.42 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.456 HE22 ' CG ' ' C' ' 16' ' ' GLN . 17.7 tm0? -61.63 -40.0 93.31 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -60.06 -44.05 94.98 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.862 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.95 -40.46 93.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -42.77 94.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.008 -1.057 . . . . 0.0 109.197 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.456 ' CG ' HE22 ' C' ' 12' ' ' GLN . 28.7 mt-30 -62.23 -40.06 94.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.73 -40.13 91.86 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.273 -0.892 . . . . 0.0 109.391 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.9 -40.78 98.62 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.0 -49.63 76.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 109.862 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.98 -40.94 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.04 -1.038 . . . . 0.0 109.79 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -43.16 91.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.13 -40.29 95.85 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.497 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 30.0 mmt180 -60.53 -40.18 90.56 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.18 -40.09 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.319 -0.863 . . . . 0.0 109.302 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -59.94 -43.25 95.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.616 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.65 -39.97 80.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.941 -1.099 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.0 -40.16 96.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 109.182 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.13 -40.09 88.57 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.553 -0.717 . . . . 0.0 109.711 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.57 -40.04 90.2 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.066 -1.021 . . . . 0.0 109.599 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.419 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.6 mt -61.93 -41.64 98.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 109.967 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.6 p -63.97 -40.0 95.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.755 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.25 -40.46 86.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 0.0 109.291 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.01 -42.83 95.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -0.84 . . . . 0.0 110.377 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.53 93.99 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.18 -49.33 78.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 0.0 109.966 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -60.02 -39.96 87.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.087 -1.008 . . . . 0.0 109.986 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.93 -40.1 87.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.922 -1.111 . . . . 0.0 109.363 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.149 -0.969 . . . . 0.0 108.994 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.98 -39.96 87.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.439 -0.788 . . . . 0.0 109.386 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' C' ' 43' ' ' THR . 44.2 p -59.99 -41.06 91.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.873 -1.142 . . . . 0.0 108.431 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.573 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.4 mtt-85 -63.52 -40.02 95.95 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -40.72 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.404 -0.81 . . . . 0.0 109.147 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' C' ' 40' ' ' THR . 80.6 p -60.44 -39.97 89.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.867 -1.145 . . . . 0.0 109.246 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.56 -40.05 77.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.847 -1.158 . . . . 0.0 109.041 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.41 -43.72 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.411 -0.806 . . . . 0.0 111.05 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.48 -39.92 92.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.399 -1.438 . . . . 0.0 108.105 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.98 -43.4 95.13 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.285 -0.966 . . . . 0.0 108.523 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.498 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.5 m-85 -65.33 -40.19 93.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.91 -1.119 . . . . 0.0 110.046 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.758 -1.214 . . . . 0.0 109.144 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.845 -1.159 . . . . 0.0 108.515 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 48.9 t0 -59.93 -39.72 86.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 109.127 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.679 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.98 -39.41 85.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.969 -1.082 . . . . 0.0 108.932 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.43 80.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.996 -1.065 . . . . 0.0 108.39 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.93 -40.12 87.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.0 108.74 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.65 118.02 11.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.0 108.339 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.676 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 69.1 m-80 -132.9 -63.0 0.79 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.359 -0.838 . . . . 0.0 110.466 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . 0.409 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -155.05 116.88 4.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.197 -0.94 . . . . 0.0 110.3 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.412 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 92.3 m95 -103.16 131.42 50.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.481 -0.762 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.59 20.43 67.98 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.044 -1.075 . . . . 0.0 110.62 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.83 23.24 0.1 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.927 -1.337 . . . . 0.0 108.985 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -162.4 107.42 1.19 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -108.75 11.77 26.13 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.164 -0.96 . . . . 0.0 110.233 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 56.3 mtp180 -142.09 25.8 1.89 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.124 -0.985 . . . . 0.0 108.878 177.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.79 152.29 38.53 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.3 t -103.09 59.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.254 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.1 156.29 41.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.369 -0.832 . . . . 0.0 109.445 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -131.53 133.11 44.73 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.0 t -91.92 114.62 27.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.832 -1.168 . . . . 0.0 109.376 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -112.81 120.02 40.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.676 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 84.9 t -122.95 86.18 50.65 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -86.97 63.34 4.34 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.984 2.456 . . . . 0.0 111.88 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.442 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 16.6 t90 -69.92 136.61 87.44 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.444 -0.785 . . . . 0.0 109.172 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.442 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 87.2 Cg_exo -42.25 146.86 0.6 Allowed 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 120.909 1.073 . . . . 0.0 110.218 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.69 HD22 ' NE2' ' B' ' 52' ' ' GLN . 55.1 t30 -132.28 4.11 4.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.09 7.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.564 -0.71 . . . . 0.0 109.159 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.14 107.33 13.85 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -79.17 136.73 37.19 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.445 ' O ' ' CG2' ' C' ' 78' ' ' THR . 8.8 t -90.41 111.78 49.2 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -92.56 -49.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.74 1.626 . . . . 0.0 114.792 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.17 -42.61 2.47 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.198 -0.939 . . . . 0.0 113.528 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.0 p90 -59.29 -49.97 75.78 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.17 -1.581 . . . . 0.0 111.757 -175.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.634 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 57.4 t30 -72.98 -41.76 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.109 -1.619 . . . . 0.0 110.635 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.01 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 110.441 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.23 -44.3 96.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.846 -1.158 . . . . 0.0 109.526 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -70.0 -39.97 75.55 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.025 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 30.1 t-105 -66.32 -39.96 89.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.824 -1.172 . . . . 0.0 109.351 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.05 -42.93 95.55 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.114 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -41.54 92.3 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.466 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 58.6 t90 -60.04 -49.42 77.72 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.4 -40.19 95.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 109.268 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -59.99 -46.36 89.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.307 -0.87 . . . . 0.0 110.375 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.02 -42.14 93.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.925 -1.11 . . . . 0.0 110.047 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.61 -41.96 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.961 -1.087 . . . . 0.0 108.933 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.0 -47.07 87.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.24 -40.05 93.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.784 -1.197 . . . . 0.0 109.853 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.51 -41.6 88.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.017 -1.052 . . . . 0.0 109.106 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -49.16 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.206 -0.934 . . . . 0.0 109.001 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.79 -44.16 97.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.303 -0.873 . . . . 0.0 109.26 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.582 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.2 t-20 -60.04 -48.15 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.295 -0.878 . . . . 0.0 109.507 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.0 -44.84 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.198 -0.939 . . . . 0.0 109.539 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -60.02 -42.51 94.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.63 85.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.106 -0.996 . . . . 0.0 108.816 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.96 -46.5 89.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.532 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.5 -41.08 96.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.225 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -47.91 83.87 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.204 -0.935 . . . . 0.0 109.199 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.29 -39.94 93.18 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.264 -0.898 . . . . 0.0 109.299 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.19 94.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.35 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -48.64 80.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.077 -1.014 . . . . 0.0 109.535 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.11 -46.32 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.133 -0.979 . . . . 0.0 109.263 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.498 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.907 . . . . 0.0 108.868 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.2 -42.62 95.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.577 -0.702 . . . . 0.0 109.408 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.6 -39.91 94.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.034 -1.041 . . . . 0.0 109.318 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 115' ' ' MET . . . . . 0.424 ' C ' ' SD ' ' C' ' 115' ' ' MET . 1.4 tmt? -69.88 -40.02 75.94 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . 0.513 ' OH ' ' NZ ' ' C' ' 120' ' ' LYS . 64.8 t80 -59.96 -47.25 86.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.399 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.03 -40.16 88.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.48 -0.763 . . . . 0.0 109.473 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.2 mt-30 -60.36 -42.61 96.12 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.109 -0.995 . . . . 0.0 109.997 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . 0.513 ' NZ ' ' OH ' ' C' ' 116' ' ' TYR . 39.8 mmtm -59.94 -38.69 83.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.963 . . . . 0.0 109.381 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 83.0 mt -59.96 -46.68 88.63 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . 0.443 HD21 HH12 ' C' ' 4' ' ' ARG . 15.3 t-20 -124.86 60.2 1.2 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.259 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' B' ' 2' ' ' GLN . 26.2 mm100 -69.69 143.87 53.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.565 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -90.56 61.42 4.89 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.249 -0.907 . . . . 0.0 109.196 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.35 -39.95 94.81 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.895 . . . . 0.0 109.332 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -60.2 -45.6 92.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.186 -0.946 . . . . 0.0 109.7 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.17 -43.13 96.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.12 -0.988 . . . . 0.0 108.96 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.76 -40.0 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.498 -0.751 . . . . 0.0 109.765 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 12' ' ' GLN . . . -59.76 -43.74 94.17 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.014 -1.054 . . . . 0.0 108.402 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -63.73 -47.23 88.46 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.625 -1.79 . . . . 0.0 108.625 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.72 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.349 -1.089 . . . . 0.0 109.446 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -47.87 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.005 -1.059 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' NE2' ' N ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -59.95 -40.0 87.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.145 -0.972 . . . . 0.0 109.692 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.48 92.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.033 . . . . 0.0 109.166 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.95 -41.17 95.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.942 -1.099 . . . . 0.0 109.142 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.08 -43.8 95.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -41.16 97.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -41.96 99.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.054 . . . . 0.0 109.327 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.0 -45.07 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.09 -47.2 86.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.06 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.42 -40.47 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.989 -1.069 . . . . 0.0 109.838 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.97 -41.54 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.17 -0.956 . . . . 0.0 108.934 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.44 -40.46 94.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.536 -0.727 . . . . 0.0 109.134 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.559 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.1 mmt180 -60.25 -40.6 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.219 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.46 -39.91 89.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.211 -0.93 . . . . 0.0 109.32 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.12 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.0 109.39 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.86 -43.84 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.23 -0.919 . . . . 0.0 109.665 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.82 -40.1 94.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.903 . . . . 0.0 109.705 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.04 -40.42 89.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.65 -40.24 91.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.9 mt -62.73 -40.54 97.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.062 -1.024 . . . . 0.0 110.041 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.495 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 62.5 p -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.928 -1.108 . . . . 0.0 109.807 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.495 ' N ' ' HG1' ' A' ' 31' ' ' THR . 55.7 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.319 -0.863 . . . . 0.0 109.102 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -60.06 -42.33 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -47.37 91.35 Favored Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.672 -1.251 . . . . 0.0 110.137 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -49.92 75.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.109 -1.23 . . . . 0.0 109.309 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 0.0 109.922 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.642 HD22 HH21 ' A' ' 41' ' ' ARG . 51.7 t-20 -59.88 -40.09 87.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.965 -1.084 . . . . 0.0 109.373 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.17 -40.14 92.76 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.03 -1.044 . . . . 0.0 109.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.92 -40.4 88.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.095 -1.003 . . . . 0.0 109.77 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 43' ' ' THR . 70.9 p -60.03 -40.17 88.44 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.642 HH21 HD22 ' A' ' 37' ' ' ASN . 27.4 mtt-85 -63.06 -40.03 96.47 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -40.88 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.247 -0.908 . . . . 0.0 108.861 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 40' ' ' THR . 63.0 p -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.5 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.12 85.22 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.422 -1.424 . . . . 0.0 108.454 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.12 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 0.0 109.689 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.04 -40.04 88.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.068 -1.02 . . . . 0.0 109.313 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.84 -39.94 95.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.384 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 44.4 m-85 -65.24 -39.19 92.38 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.04 -39.6 86.48 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.952 -1.093 . . . . 0.0 108.392 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.09 -39.92 87.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.568 -1.333 . . . . 0.0 108.291 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 54.2 t0 -60.14 -38.4 82.97 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.05 -39.89 83.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.114 -0.992 . . . . 0.0 109.187 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.02 -38.67 83.37 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 120.756 -1.215 . . . . 0.0 108.376 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.96 -40.01 87.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.802 . . . . 0.0 110.087 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.91 114.21 13.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.192 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 72.0 m-80 -133.5 -55.28 0.9 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.389 -0.82 . . . . 0.0 110.242 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' C' ' 58' ' ' TRP . . . -155.57 115.79 3.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.066 -1.021 . . . . 0.0 110.029 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.405 ' H ' ' HB3' ' B' ' 57' ' ' ALA . 90.1 m95 -102.1 118.87 37.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.364 -0.835 . . . . 0.0 110.294 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.17 27.66 73.53 Favored Glycine 0 N--CA 1.494 2.525 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.166 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 21.99 0.1 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.545 -1.562 . . . . 0.0 109.289 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.52 114.31 1.85 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.146 -0.971 . . . . 0.0 109.474 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 34.5 m-85 -115.05 11.8 16.53 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.399 -0.813 . . . . 0.0 110.524 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 51.3 mtp180 -140.09 25.46 2.29 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.935 -1.103 . . . . 0.0 108.081 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 42.2 mt-30 -141.7 152.89 44.27 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.17 56.45 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.65 156.17 40.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.493 -0.755 . . . . 0.0 109.437 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -132.02 133.24 44.21 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.02 110.1 21.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.294 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.1 t -118.43 122.79 43.63 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.675 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 85.8 t -126.56 85.7 59.88 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.528 -0.732 . . . . 0.0 109.921 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -86.95 60.82 4.08 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 C-N-CA 122.692 2.261 . . . . 0.0 111.019 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.0 t90 -69.97 135.45 87.45 Favored Pre-proline 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 109.353 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.1 Cg_exo -40.28 150.09 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.441 1.427 . . . . 0.0 110.626 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 38.5 t30 -127.31 -57.12 1.31 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.287 -0.883 . . . . 0.0 109.605 -178.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.29 126.68 35.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.027 -1.046 . . . . 0.0 108.548 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.406 ' H ' ' HG ' ' A' ' 76' ' ' SER . 10.7 p -80.93 110.75 16.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.872 -1.142 . . . . 0.0 108.043 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.4 mt -79.55 135.09 36.52 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.491 0.662 . . . . 0.0 110.243 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -93.5 113.7 60.92 Favored Pre-proline 0 N--CA 1.493 1.721 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -92.18 -48.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.744 1.629 . . . . 0.0 114.418 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.47 -43.93 2.38 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.8 p90 -60.04 -47.33 86.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.366 -1.459 . . . . 0.0 112.415 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 61.6 t30 -71.15 -45.04 64.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.012 -1.68 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.531 HD22 ' NE2' ' A' ' 87' ' ' GLN . 47.4 t30 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.051 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.12 -44.54 97.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.783 -1.198 . . . . 0.0 109.404 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.8 p -69.95 -40.07 75.68 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.853 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -69.05 -40.09 78.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.987 -1.07 . . . . 0.0 109.497 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.531 ' NE2' HD22 ' A' ' 83' ' ' ASN . 91.4 mt-30 -60.02 -41.31 91.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.687 -1.258 . . . . 0.0 108.846 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.04 -40.11 94.64 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.049 -1.032 . . . . 0.0 108.64 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.407 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.7 t90 -59.99 -50.05 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -0.785 . . . . 0.0 109.18 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -63.15 -41.76 99.34 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.15 -0.969 . . . . 0.0 109.612 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.04 -42.42 94.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.0 -42.26 93.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.836 -1.165 . . . . 0.0 108.941 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.352 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.54 -40.28 90.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.116 -0.99 . . . . 0.0 110.893 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.79 -40.05 79.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.851 -1.156 . . . . 0.0 109.755 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.38 -40.28 89.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 109.518 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.29 -44.36 95.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.964 -1.085 . . . . 0.0 109.771 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -47.4 85.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.107 -0.996 . . . . 0.0 109.417 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.519 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -59.97 -46.59 88.94 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.604 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.04 -44.69 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.259 -0.9 . . . . 0.0 109.687 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 p -60.34 -42.37 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.735 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.081 -1.012 . . . . 0.0 109.505 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.99 -45.62 92.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.434 -0.791 . . . . 0.0 109.506 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -41.59 92.39 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.164 -0.96 . . . . 0.0 109.497 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.02 -46.64 88.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.107 -0.996 . . . . 0.0 109.708 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.43 95.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.048 -1.032 . . . . 0.0 109.475 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.73 86.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.262 -0.899 . . . . 0.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.443 ' O ' ' OE1' ' A' ' 112' ' ' GLU . 94.9 mt-30 -60.79 -43.67 97.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.115 -0.991 . . . . 0.0 109.727 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.86 -39.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.926 -1.109 . . . . 0.0 109.22 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.1 tt0 -69.56 -39.98 77.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.583 -0.698 . . . . 0.0 109.936 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.99 -49.22 78.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.151 -0.968 . . . . 0.0 109.972 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.566 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.3 mp0 -60.02 -43.14 95.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.984 -1.073 . . . . 0.0 109.258 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -61.01 -41.43 96.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.058 -1.026 . . . . 0.0 110.18 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -62.37 -48.43 79.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.825 -1.172 . . . . 0.0 109.834 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.98 -39.91 95.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.094 -1.004 . . . . 0.0 109.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -60.03 -47.28 86.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.31 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.19 -40.07 96.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 109.21 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.07 -42.86 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.27 -40.03 92.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.092 -1.005 . . . . 0.0 109.666 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.49 -40.06 89.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.634 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.24 -46.92 87.19 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.77 60.54 0.9 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.46 ' H ' ' HG ' ' A' ' 123' ' ' SER . 4.4 p . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.114 -0.991 . . . . 0.0 109.225 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 25.9 mm100 -70.03 143.86 52.39 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -90.47 61.52 4.98 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.282 -0.886 . . . . 0.0 109.278 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.29 -40.02 94.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 109.404 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 t -60.29 -45.39 93.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.35 -43.26 96.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.01 -1.056 . . . . 0.0 108.76 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.55 -39.96 89.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.499 -0.75 . . . . 0.0 109.885 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' B' ' 12' ' ' GLN . . . -59.95 -43.6 94.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.131 -0.981 . . . . 0.0 108.473 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' C' ' 110' ' ' GLN . . . -63.76 -47.36 87.14 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 10' ' ' ILE . 96.5 mt -59.98 -49.71 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.407 -1.055 . . . . 0.0 109.43 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.95 -47.62 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.022 -1.049 . . . . 0.0 109.469 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 12' ' ' GLN . 0.2 OUTLIER -60.15 -40.07 88.57 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 109.501 179.412 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.96 -41.4 91.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.078 -1.014 . . . . 0.0 109.187 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -61.12 -41.07 96.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.23 -43.55 95.96 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 109.181 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -41.14 96.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.312 -0.867 . . . . 0.0 109.577 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.11 -42.3 99.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.969 . . . . 0.0 109.322 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.01 -44.88 94.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.277 -0.89 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.03 -47.25 86.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.03 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.43 -40.56 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.98 -41.2 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.115 -0.99 . . . . 0.0 109.103 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.72 -40.19 94.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.439 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.4 mmt180 -60.64 -40.54 92.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 109.064 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.51 -39.99 89.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 109.239 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -60.04 -49.12 78.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.43 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.28 -43.55 98.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.06 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 109.693 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.95 -40.53 89.32 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.388 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.65 -40.3 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.109 -0.994 . . . . 0.0 110.038 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.41 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.7 mt -62.62 -40.5 97.18 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.145 -0.972 . . . . 0.0 110.047 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.491 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 64.6 p -63.04 -40.0 96.42 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.957 -1.089 . . . . 0.0 109.842 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.491 ' N ' ' HG1' ' B' ' 31' ' ' THR . 53.0 t -60.16 -40.05 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -0.905 . . . . 0.0 109.009 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -60.07 -42.28 94.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.44 -0.787 . . . . 0.0 110.214 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.31 91.61 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.141 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -49.82 76.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.057 -1.261 . . . . 0.0 109.434 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.04 -39.96 87.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.0 109.877 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.626 HD22 HH21 ' B' ' 41' ' ' ARG . 51.6 t-20 -60.02 -39.99 87.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.035 -1.041 . . . . 0.0 109.426 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.15 -40.2 92.95 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.088 -1.007 . . . . 0.0 109.857 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.95 -40.26 88.41 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.031 -1.043 . . . . 0.0 109.724 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.427 ' O ' ' OG1' ' B' ' 43' ' ' THR . 71.1 p -59.98 -40.6 89.68 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.626 HH21 HD22 ' B' ' 37' ' ' ASN . 27.5 mtt-85 -62.86 -39.91 95.84 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.83 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.18 -0.95 . . . . 0.0 108.914 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.2 p -59.94 -40.05 87.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.032 -1.043 . . . . 0.0 108.461 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.17 84.5 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.433 -1.417 . . . . 0.0 108.445 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 45' ' ' ILE . 83.7 mt -64.17 -39.92 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.507 -0.745 . . . . 0.0 109.591 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.14 -40.02 88.36 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.084 -1.01 . . . . 0.0 109.336 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.78 -40.03 95.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.827 -1.171 . . . . 0.0 109.435 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 44.8 m-85 -65.1 -39.14 92.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.052 -1.03 . . . . 0.0 109.792 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.97 -1.081 . . . . 0.0 108.386 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.582 -1.324 . . . . 0.0 108.362 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.02 -38.72 83.49 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.643 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.78 -39.98 82.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.071 -1.018 . . . . 0.0 109.122 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.643 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.97 -38.65 83.16 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 120.735 -1.228 . . . . 0.0 108.359 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.367 -0.833 . . . . 0.0 110.025 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt -74.92 113.84 12.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.251 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 72.5 m-80 -133.23 -55.36 0.91 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.454 -0.779 . . . . 0.0 110.26 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' H ' ' A' ' 58' ' ' TRP . . . -155.48 115.68 3.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.095 -1.003 . . . . 0.0 109.988 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.454 ' H ' ' HB3' ' C' ' 57' ' ' ALA . 90.1 m95 -101.99 118.94 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.424 -0.797 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.08 27.64 73.52 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.107 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 22.19 0.1 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.448 -1.619 . . . . 0.0 109.311 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -161.68 114.18 1.8 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.286 -0.884 . . . . 0.0 109.498 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.505 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 34.7 m-85 -114.98 11.74 16.58 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 110.568 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 52.2 mtp180 -140.13 25.44 2.28 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 42.0 mt-30 -141.59 152.84 44.39 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.26 56.54 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.5 156.03 40.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.532 -0.73 . . . . 0.0 109.528 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -131.75 133.3 44.64 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.21 109.96 21.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.63 -1.294 . . . . 0.0 109.331 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -118.45 122.68 43.35 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.667 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 87.1 t -126.33 85.82 59.32 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.618 -0.676 . . . . 0.0 109.869 -178.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.89 60.74 4.12 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 122.677 2.252 . . . . 0.0 110.944 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -69.98 135.54 87.43 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 121.642 -0.661 . . . . 0.0 109.25 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.7 Cg_exo -40.37 150.17 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.412 1.408 . . . . 0.0 110.506 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 38.9 t30 -127.31 -57.37 1.3 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.241 -0.912 . . . . 0.0 109.49 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.02 126.84 35.6 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.134 -0.979 . . . . 0.0 108.536 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.426 ' H ' ' HG ' ' B' ' 76' ' ' SER . 9.9 p -81.0 110.78 16.87 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.92 -1.112 . . . . 0.0 108.038 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.64 134.95 36.45 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.616 0.722 . . . . 0.0 110.272 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.6 t -93.43 113.66 60.77 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -92.17 -48.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.849 1.7 . . . . 0.0 114.379 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -121.56 -43.98 2.37 Favored 'General case' 0 N--CA 1.508 2.443 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -59.96 -47.48 85.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.345 -1.472 . . . . 0.0 112.322 -175.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 61.5 t30 -71.16 -45.02 64.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.013 -1.68 . . . . 0.0 109.991 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.525 HD22 ' NE2' ' B' ' 87' ' ' GLN . 47.4 t30 -59.97 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.849 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.32 -44.28 97.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.829 -1.169 . . . . 0.0 109.571 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 74.7 p -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.074 -1.016 . . . . 0.0 109.898 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -69.3 -39.97 77.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.04 -1.037 . . . . 0.0 109.483 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . 0.525 ' NE2' HD22 ' B' ' 83' ' ' ASN . 91.4 mt-30 -60.0 -41.48 92.18 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 120.801 -1.187 . . . . 0.0 108.854 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.0 -40.12 94.57 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.117 -0.989 . . . . 0.0 108.621 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.421 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.0 t90 -59.95 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.521 -0.737 . . . . 0.0 109.18 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -63.24 -41.84 99.14 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.334 -0.853 . . . . 0.0 109.522 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -60.08 -42.25 94.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 110.47 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.1 -42.17 94.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.702 -1.248 . . . . 0.0 108.974 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.89 -40.53 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.228 -0.92 . . . . 0.0 109.343 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.84 -40.02 91.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.132 -0.98 . . . . 0.0 110.836 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -69.0 -40.02 78.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.818 -1.176 . . . . 0.0 109.673 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.5 -40.37 89.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.119 -0.988 . . . . 0.0 109.571 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -44.27 96.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 109.832 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.48 85.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.559 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.6 t-20 -59.96 -46.53 89.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.324 -0.86 . . . . 0.0 109.667 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.4 HD11 HG22 ' B' ' 100' ' ' ILE . 89.5 mt -60.04 -44.58 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.263 -0.898 . . . . 0.0 109.716 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 37.7 p -60.54 -42.5 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.983 -1.073 . . . . 0.0 109.734 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.08 78.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 109.45 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.97 -45.59 92.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 109.728 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.08 -41.65 92.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.36 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.01 -46.84 88.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.612 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.41 -40.76 96.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.983 -1.073 . . . . 0.0 109.486 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.25 87.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.234 -0.916 . . . . 0.0 109.586 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 112' ' ' GLU . 95.1 mt-30 -60.45 -43.61 96.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 109.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.0 -39.96 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.865 -1.147 . . . . 0.0 109.212 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.0 tt0 -69.53 -39.99 77.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.528 -0.732 . . . . 0.0 109.96 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -60.03 -49.12 78.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 0.0 109.93 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 3.3 mp0 -60.07 -43.0 95.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 109.262 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -61.12 -41.46 96.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.099 -1.0 . . . . 0.0 110.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -62.46 -48.38 79.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.822 -1.174 . . . . 0.0 109.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 109.131 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -60.1 -47.16 87.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.383 -0.823 . . . . 0.0 109.303 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.12 -40.26 97.08 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.148 -0.97 . . . . 0.0 109.246 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.1 -42.84 95.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.364 -0.835 . . . . 0.0 109.887 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -61.36 -39.98 92.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.966 -1.084 . . . . 0.0 109.645 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.32 -39.99 88.99 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.434 -0.791 . . . . 0.0 109.692 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.56 -46.86 87.67 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.82 60.73 0.9 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' B' ' 123' ' ' SER . 4.3 p . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.088 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 26.1 mm100 -69.95 143.92 52.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.281 -0.887 . . . . 0.0 109.641 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -90.47 61.38 4.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.303 -0.873 . . . . 0.0 109.208 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.46 -40.03 95.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 109.417 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -60.19 -45.45 93.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.117 -0.989 . . . . 0.0 109.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.12 -43.34 95.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.905 -1.122 . . . . 0.0 108.886 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.68 -39.84 89.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 0.0 109.772 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . 0.412 ' O ' ' CD ' ' C' ' 12' ' ' GLN . . . -59.95 -43.84 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.064 -1.023 . . . . 0.0 108.471 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -63.58 -47.24 88.77 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.571 -1.811 . . . . 0.0 108.571 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.68 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.301 -1.117 . . . . 0.0 109.432 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.04 -47.92 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.965 -1.084 . . . . 0.0 109.364 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.506 ' NE2' ' N ' ' C' ' 12' ' ' GLN . 0.2 OUTLIER -59.92 -40.09 87.69 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.108 -0.995 . . . . 0.0 109.586 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.16 91.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.122 -0.986 . . . . 0.0 109.228 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -61.21 -41.14 96.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.074 -1.016 . . . . 0.0 109.157 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -43.85 95.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.356 -0.84 . . . . 0.0 109.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -40.85 96.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.29 -0.881 . . . . 0.0 109.543 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.26 -42.43 99.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.13 -0.981 . . . . 0.0 109.284 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.98 -44.93 94.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 108.774 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.02 -47.11 87.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.257 -0.902 . . . . 0.0 110.047 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.49 -40.57 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.939 -1.101 . . . . 0.0 109.838 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.98 -41.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.074 -1.016 . . . . 0.0 108.939 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.58 -40.12 93.62 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.518 -0.739 . . . . 0.0 109.213 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.519 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.61 -40.5 92.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.135 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.59 -40.05 90.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.181 -0.949 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -59.9 -49.1 79.01 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 109.503 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.47 -43.38 98.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 109.567 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.21 -40.09 94.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.354 -0.841 . . . . 0.0 109.664 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.93 -40.45 88.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.68 -40.41 92.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.298 -0.876 . . . . 0.0 110.093 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.407 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -62.64 -40.41 96.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.146 -0.971 . . . . 0.0 110.05 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.494 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 63.3 p -63.07 -40.0 96.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.989 -1.07 . . . . 0.0 109.699 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.494 ' N ' ' HG1' ' C' ' 31' ' ' THR . 53.9 t -60.12 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 108.978 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -59.91 -42.46 93.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.368 -0.832 . . . . 0.0 110.372 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.1 92.69 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.513 -1.327 . . . . 0.0 110.135 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.05 -49.89 75.86 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.961 -1.317 . . . . 0.0 109.443 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.98 -39.95 87.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 109.849 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.615 HD22 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -60.07 -39.95 87.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.082 -1.012 . . . . 0.0 109.308 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.99 -40.12 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.062 -1.024 . . . . 0.0 109.929 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.035 -1.041 . . . . 0.0 109.741 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 70.6 p -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.615 HH21 HD22 ' C' ' 37' ' ' ASN . 27.2 mtt-85 -63.16 -39.95 96.14 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -40.75 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.235 -0.915 . . . . 0.0 108.738 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.8 p -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.475 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -45.12 85.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 108.451 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.21 -40.05 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.11 -39.91 87.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.109 -0.994 . . . . 0.0 109.416 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.93 -40.03 95.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.877 -1.14 . . . . 0.0 109.436 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 44.2 m-85 -64.89 -39.29 93.29 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 109.852 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.97 -39.76 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 108.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.464 -1.397 . . . . 0.0 108.318 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' C' ' 51' ' ' ASP . 55.3 t0 -60.04 -38.33 82.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.0 108.614 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.632 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.16 -39.96 84.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.108 -0.995 . . . . 0.0 109.146 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.632 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.98 -38.7 83.34 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.79 -1.194 . . . . 0.0 108.333 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -60.01 -39.95 87.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.801 . . . . 0.0 110.041 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.83 113.99 12.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.908 -1.12 . . . . 0.0 109.162 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 72.3 m-80 -133.33 -55.45 0.91 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.459 -0.775 . . . . 0.0 110.182 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . 0.454 ' HB3' ' H ' ' B' ' 58' ' ' TRP . . . -155.57 115.6 3.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.164 -0.96 . . . . 0.0 110.113 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.449 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 90.1 m95 -101.87 118.79 37.64 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.366 -0.834 . . . . 0.0 110.424 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.38 27.21 73.5 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.191 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.35 22.29 0.09 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.518 -1.578 . . . . 0.0 109.374 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -161.78 114.19 1.78 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.182 -0.949 . . . . 0.0 109.576 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 34.8 m-85 -115.02 12.03 16.61 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.402 -0.811 . . . . 0.0 110.54 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' B' ' 63' ' ' ARG . 51.3 mtp180 -140.25 25.3 2.27 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.505 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 42.3 mt-30 -141.61 152.86 44.38 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.21 56.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.047 . . . . 0.0 108.199 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.42 156.14 40.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.597 -0.69 . . . . 0.0 109.481 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -131.86 133.26 44.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.09 110.0 21.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.643 -1.285 . . . . 0.0 109.309 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -118.37 122.72 43.54 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.67 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 85.0 t -126.47 85.8 59.55 Favored Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.554 -0.716 . . . . 0.0 109.83 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -86.85 60.7 4.15 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 C-N-CA 122.703 2.269 . . . . 0.0 111.099 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' C' ' 73' ' ' PRO . 16.1 t90 -69.85 135.25 87.74 Favored Pre-proline 0 C--N 1.302 -1.461 0 O-C-N 121.591 -0.693 . . . . 0.0 109.352 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' C' ' 72' ' ' TRP . 99.9 Cg_exo -40.13 150.26 0.11 Allowed 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.388 1.392 . . . . 0.0 110.628 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 38.8 t30 -127.45 -57.4 1.29 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.329 -0.857 . . . . 0.0 109.58 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.04 126.74 35.56 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' SER . . . . . 0.413 ' H ' ' HG ' ' C' ' 76' ' ' SER . 9.9 p -81.08 110.83 16.97 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.865 -1.147 . . . . 0.0 107.971 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt -79.8 134.99 36.38 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.581 0.705 . . . . 0.0 110.212 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -93.47 113.47 60.28 Favored Pre-proline 0 N--CA 1.494 1.746 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -91.98 -48.17 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.705 1.603 . . . . 0.0 114.403 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -121.57 -43.91 2.37 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.172 -0.955 . . . . 0.0 113.52 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.359 -1.463 . . . . 0.0 112.39 -175.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.0 t30 -71.18 -44.98 64.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.067 -1.646 . . . . 0.0 109.986 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . 0.541 HD22 ' NE2' ' C' ' 87' ' ' GLN . 46.9 t30 -60.03 -50.02 75.37 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.182 -0.949 . . . . 0.0 109.916 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.07 -44.31 97.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.837 -1.165 . . . . 0.0 109.523 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -70.03 -39.96 75.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -69.34 -40.06 77.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.993 -1.067 . . . . 0.0 109.514 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . 0.541 ' NE2' HD22 ' C' ' 83' ' ' ASN . 91.6 mt-30 -60.0 -41.25 91.69 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.832 -1.168 . . . . 0.0 108.843 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.18 -40.03 94.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.038 -1.039 . . . . 0.0 108.716 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.41 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.9 t90 -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.47 -0.769 . . . . 0.0 109.123 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -63.33 -41.5 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.63 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.17 -42.42 94.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.105 -0.997 . . . . 0.0 110.403 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -59.91 -42.37 93.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.783 -1.198 . . . . 0.0 109.082 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.72 -40.92 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.335 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.55 -40.14 90.5 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.084 -1.01 . . . . 0.0 110.813 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -68.89 -39.92 79.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.941 -1.099 . . . . 0.0 109.684 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.12 -0.988 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.19 -44.0 96.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.962 -1.086 . . . . 0.0 109.75 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.24 -47.54 85.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.149 -0.969 . . . . 0.0 109.428 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.439 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.7 t-20 -60.01 -46.44 89.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.29 -0.881 . . . . 0.0 109.63 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . 0.433 HG22 HD11 ' C' ' 100' ' ' ILE . 89.7 mt -60.01 -44.71 95.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.181 -0.949 . . . . 0.0 109.712 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 37.4 p -60.55 -42.41 96.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.988 -1.07 . . . . 0.0 109.677 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -49.01 79.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.128 -0.982 . . . . 0.0 109.463 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.303 -0.873 . . . . 0.0 109.542 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.99 -41.65 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -0.924 . . . . 0.0 109.496 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.06 -46.7 88.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.151 -0.968 . . . . 0.0 109.684 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.44 -40.58 96.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.934 -1.104 . . . . 0.0 109.598 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.9 86.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' C' ' 112' ' ' GLU . 94.8 mt-30 -60.73 -43.46 97.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.096 -1.002 . . . . 0.0 109.732 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -70.0 -40.08 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.906 -1.121 . . . . 0.0 109.208 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' B' ' 9' ' ' GLY . 63.1 tt0 -69.59 -39.99 76.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.39 -0.819 . . . . 0.0 109.91 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.98 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 0.0 109.829 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 3.3 mp0 -59.95 -43.31 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.253 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.84 -41.72 96.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.158 -0.964 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -62.18 -48.42 80.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.921 -1.112 . . . . 0.0 109.931 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.7 ttp -63.77 -40.05 95.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.1 -1.0 . . . . 0.0 109.204 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.99 -47.27 86.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.803 . . . . 0.0 109.395 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.07 -39.99 96.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.138 -0.976 . . . . 0.0 109.213 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.34 -42.87 96.59 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 109.813 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.3 mt-30 -61.24 -40.27 93.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.026 -1.046 . . . . 0.0 109.624 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.05 -39.98 87.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.44 -0.787 . . . . 0.0 109.774 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.51 -46.95 87.36 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -120.7 60.51 0.9 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.571 -0.706 . . . . 0.0 109.134 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.446 ' H ' ' HG ' ' C' ' 123' ' ' SER . 4.5 p . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.272 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.3 mt-30 -69.99 144.3 52.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.088 -1.008 . . . . 0.0 109.327 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.75 57.73 4.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 108.874 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.39 -39.99 92.89 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.477 -0.764 . . . . 0.0 109.042 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 13.6 t -60.1 -45.4 93.09 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.329 -0.857 . . . . 0.0 109.557 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' A' ' 5' ' ' THR . 62.7 tp -60.34 -44.39 95.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.084 -1.01 . . . . 0.0 108.697 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.3 -40.11 89.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.412 -0.805 . . . . 0.0 109.718 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.69 56.43 Favored Glycine 0 N--CA 1.487 2.062 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.83 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -1.149 . . . . 0.0 109.604 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.45 89.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.814 -1.179 . . . . 0.0 108.697 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.441 ' CG ' HE22 ' B' ' 110' ' ' GLN . 71.1 tp60 -60.7 -40.88 93.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.453 -0.779 . . . . 0.0 109.325 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.467 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.8 tp-100 -60.26 -42.16 94.74 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.98 -40.95 90.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.044 -1.035 . . . . 0.0 109.364 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.57 -42.49 96.74 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.5 mt-30 -62.55 -41.77 99.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.79 -42.11 98.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 0.0 109.149 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.92 -43.87 94.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.31 -0.869 . . . . 0.0 109.022 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 55.3 t0 -60.0 -45.45 92.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.817 . . . . 0.0 109.842 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.07 -39.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.762 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.096 -1.003 . . . . 0.0 108.538 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 63.6 tttm -60.33 -40.72 91.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.645 -0.659 . . . . 0.0 109.703 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.673 ' HE ' ' ND2' ' B' ' 99' ' ' ASN . 10.2 mpt_? -60.01 -41.24 91.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.24 -0.912 . . . . 0.0 109.492 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.92 -39.93 87.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.887 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.97 -49.41 77.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.0 109.826 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 10.5 mp0 -63.49 -40.42 97.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.67 -1.269 . . . . 0.0 109.66 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.98 -41.65 96.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 109.682 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 31' ' ' THR . 26.1 mt -60.12 -39.98 88.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.11 -40.55 90.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.121 -0.987 . . . . 0.0 109.642 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 98.0 mt -62.03 -40.42 95.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.037 -1.039 . . . . 0.0 109.535 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 82.6 p -63.55 -40.06 96.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.715 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.96 -39.98 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 109.232 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.0 -47.67 84.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.342 -0.849 . . . . 0.0 109.977 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.83 73.67 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.06 75.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.055 -1.262 . . . . 0.0 109.898 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.63 -40.04 90.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 0.0 109.683 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.654 HD22 HH21 ' A' ' 41' ' ' ARG . 40.6 t30 -60.06 -41.04 91.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.215 -0.928 . . . . 0.0 110.105 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.92 -40.11 94.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.064 -1.023 . . . . 0.0 110.008 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.78 95.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.451 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.2 p -61.86 -40.06 94.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 108.618 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.654 HH21 HD22 ' A' ' 37' ' ' ASN . 44.9 mtt-85 -67.78 -39.92 84.03 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.46 -40.85 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.52 -0.737 . . . . 0.0 109.16 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 40' ' ' THR . 41.7 p -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 109.237 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.99 93.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 108.53 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.18 -39.93 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -39.91 87.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.77 -41.89 98.29 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.841 -1.162 . . . . 0.0 108.564 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 44.9 m-85 -64.82 -40.05 94.58 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.506 -0.747 . . . . 0.0 109.533 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.581 -1.325 . . . . 0.0 109.267 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.02 -40.2 88.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.499 -1.376 . . . . 0.0 108.014 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.32 -39.73 91.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.466 -0.771 . . . . 0.0 109.068 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.55 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -57.08 -40.01 76.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.011 -1.056 . . . . 0.0 108.349 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.73 77.83 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.23 -0.919 . . . . 0.0 108.654 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.97 -39.9 87.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.8 mt -71.31 116.45 11.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.922 -1.111 . . . . 0.0 108.761 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.528 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 33.2 m120 -133.42 -58.99 0.88 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.716 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.12 116.54 4.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.052 -1.03 . . . . 0.0 110.478 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -100.37 122.05 42.51 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.413 -0.805 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.08 26.77 72.49 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.971 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.48 23.38 0.16 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.581 -1.541 . . . . 0.0 109.594 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.78 105.92 1.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.817 -1.177 . . . . 0.0 110.677 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -104.57 11.83 33.8 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.187 -0.945 . . . . 0.0 109.372 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.479 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 60.0 mtp180 -131.78 23.63 4.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.543 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.92 152.69 35.42 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 t -102.72 57.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.15 -0.969 . . . . 0.0 108.854 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.18 158.28 42.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.391 -0.818 . . . . 0.0 109.849 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -126.14 133.3 51.64 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 t -90.46 115.47 27.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.585 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -114.22 121.62 44.28 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 98.6 t -121.99 83.97 44.57 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.584 -0.698 . . . . 0.0 109.205 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.44 62.95 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.616 2.211 . . . . 0.0 111.572 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 26.1 t90 -70.0 130.64 89.68 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.522 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.506 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 82.8 Cg_exo -41.65 148.41 0.32 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.25 1.3 . . . . 0.0 110.518 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.55 ' ND2' ' NE2' ' A' ' 52' ' ' GLN . 20.7 t-20 -130.95 -45.51 1.03 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.221 -0.925 . . . . 0.0 109.356 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.5 123.42 34.17 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.5 t -81.72 106.56 13.76 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.9 mt -81.2 134.75 35.67 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.751 0.786 . . . . 0.0 109.995 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -91.81 115.16 64.05 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -90.17 -48.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.368 1.379 . . . . 0.0 113.687 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -122.63 -43.71 2.26 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.65 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.94 -49.87 75.97 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.247 -1.533 . . . . 0.0 112.478 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.65 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 58.4 t30 -70.07 -42.56 72.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 119.901 -1.749 . . . . 0.0 109.405 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.04 -50.68 72.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 0.0 110.627 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.07 -43.0 99.78 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.3 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.411 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 68.1 p -69.56 -40.06 77.03 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.411 ' N ' ' HG1' ' A' ' 85' ' ' THR . 40.4 t-105 -67.86 -39.99 83.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.972 -1.08 . . . . 0.0 109.776 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.92 -40.88 90.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.919 -1.113 . . . . 0.0 109.057 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.29 -40.88 95.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.006 -1.059 . . . . 0.0 108.794 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.479 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.95 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.144 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.54 -39.91 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.342 -0.849 . . . . 0.0 109.616 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -63.72 -40.49 96.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.097 -1.002 . . . . 0.0 109.78 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -59.97 -43.3 95.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.99 -40.0 85.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.256 -0.903 . . . . 0.0 109.384 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.92 -40.73 94.29 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.935 . . . . 0.0 110.863 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -68.15 -39.99 82.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.802 -1.186 . . . . 0.0 109.207 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.91 -42.69 97.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.179 -0.95 . . . . 0.0 109.534 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -44.95 94.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.935 -1.103 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.62 -41.58 99.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 0.0 109.379 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.684 ' ND2' ' HE ' ' C' ' 23' ' ' ARG . 55.9 t-20 -63.56 -45.59 89.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.071 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.37 -46.22 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.389 -0.819 . . . . 0.0 109.464 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -60.06 -41.96 93.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.257 -0.902 . . . . 0.0 109.615 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.88 84.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.91 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.01 -45.25 93.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.848 . . . . 0.0 109.203 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.56 -43.57 97.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.235 -0.916 . . . . 0.0 109.511 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.94 -45.24 93.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 108.984 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -40.61 97.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.458 -0.776 . . . . 0.0 109.753 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.87 95.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.342 -0.849 . . . . 0.0 109.224 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.14 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 109.476 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.478 ' CG2' ' NZ ' ' A' ' 113' ' ' LYS . 97.9 mt -69.79 -42.87 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.208 -0.933 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 57.0 tt0 -68.42 -39.97 81.39 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.136 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -60.04 -47.16 87.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.807 . . . . 0.0 109.359 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.18 -41.34 98.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.083 -1.01 . . . . 0.0 109.362 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.478 ' NZ ' ' CG2' ' A' ' 109' ' ' ILE . 56.0 mttp -62.48 -42.96 99.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.083 -1.011 . . . . 0.0 109.839 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.34 -45.42 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.898 -1.126 . . . . 0.0 109.615 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.99 -40.04 79.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 0.0 109.005 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.02 -46.25 90.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.335 -0.853 . . . . 0.0 108.91 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.2 -40.01 88.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.233 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.16 -42.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.98 -40.01 91.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.865 . . . . 0.0 109.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.17 -39.97 88.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 109.523 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.93 -48.55 81.22 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -116.1 58.3 0.75 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.556 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.1 mt-30 -70.02 144.14 52.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.933 . . . . 0.0 109.341 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.64 57.81 4.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 108.944 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -65.36 -39.99 93.03 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.027 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.423 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.06 -45.38 93.07 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.348 -0.845 . . . . 0.0 109.511 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.3 tp -60.31 -44.6 95.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.106 -0.997 . . . . 0.0 108.645 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.28 -39.96 88.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.429 -0.794 . . . . 0.0 109.777 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.06 87.7 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.114 -0.991 . . . . 0.0 108.413 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.58 56.74 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -49.01 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.206 -1.173 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.49 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.909 -1.12 . . . . 0.0 108.76 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.58 -40.93 93.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.344 -0.848 . . . . 0.0 109.263 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.8 tp-100 -60.09 -42.09 93.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 109.952 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -40.94 91.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.976 -1.078 . . . . 0.0 109.466 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.301 -0.874 . . . . 0.0 109.24 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.5 mt-30 -62.27 -41.89 98.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.187 -0.945 . . . . 0.0 109.51 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.86 -42.04 98.57 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.179 -0.95 . . . . 0.0 109.194 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.93 -43.67 94.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.302 -0.874 . . . . 0.0 109.04 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.503 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.98 -45.7 91.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.0 109.946 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.95 -39.96 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.168 -0.958 . . . . 0.0 109.71 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.49 83.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.047 -1.033 . . . . 0.0 108.542 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 63.9 tttm -60.34 -40.77 91.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.589 -0.694 . . . . 0.0 109.79 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.67 ' HE ' ' ND2' ' C' ' 99' ' ' ASN . 10.2 mpt_? -59.99 -41.14 91.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.516 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.138 -0.977 . . . . 0.0 109.0 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -49.29 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.803 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 10.5 mp0 -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.696 -1.252 . . . . 0.0 109.682 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.09 -41.69 97.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.653 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' B' ' 31' ' ' THR . 26.1 mt -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.311 -0.868 . . . . 0.0 109.479 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -40.67 90.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.179 -0.951 . . . . 0.0 109.67 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.475 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.8 mt -61.93 -40.65 96.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.051 -1.03 . . . . 0.0 109.584 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 82.3 p -63.5 -39.98 95.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.655 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.98 -40.03 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.38 -0.825 . . . . 0.0 109.279 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -59.99 -47.41 85.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.438 -0.788 . . . . 0.0 110.111 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.64 -48.72 75.06 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.004 -1.291 . . . . 0.0 109.831 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -60.76 -40.0 90.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.116 -0.99 . . . . 0.0 109.661 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.696 HD22 HH21 ' B' ' 41' ' ' ARG . 40.9 t30 -59.95 -41.3 91.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.123 -0.986 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.82 -40.11 94.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.032 -1.043 . . . . 0.0 109.977 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.87 95.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 109.195 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.8 p -61.88 -39.97 93.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.115 -0.99 . . . . 0.0 108.717 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.696 HH21 HD22 ' B' ' 37' ' ' ASN . 44.6 mtt-85 -67.69 -40.06 84.38 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.52 -40.69 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.433 -0.792 . . . . 0.0 109.184 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 42.4 p -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.043 . . . . 0.0 109.301 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.0 93.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 108.569 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.2 -39.91 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -40.11 87.95 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.436 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.832 -1.168 . . . . 0.0 108.645 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.1 m-85 -64.67 -40.01 94.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.457 -0.777 . . . . 0.0 109.536 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.639 -1.288 . . . . 0.0 109.205 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.483 -1.386 . . . . 0.0 108.132 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -61.3 -39.98 92.47 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.537 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -56.95 -40.0 75.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 108.406 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.68 77.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 108.651 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.02 -39.98 87.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.412 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.29 116.56 11.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.908 -1.12 . . . . 0.0 108.692 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 33.2 m120 -133.34 -59.25 0.87 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.32 -0.862 . . . . 0.0 110.746 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.86 116.31 4.38 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.077 -1.014 . . . . 0.0 110.356 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.403 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 78.2 m95 -100.2 122.35 42.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.492 -0.755 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.86 26.69 72.27 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.079 -1.058 . . . . 0.0 111.047 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.75 23.69 0.16 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.666 -1.491 . . . . 0.0 109.574 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.13 105.04 1.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.82 -1.175 . . . . 0.0 110.676 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -103.67 11.69 35.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.472 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 60.3 mtp180 -131.48 23.57 4.75 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.547 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.7 152.83 35.98 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.359 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -102.72 57.76 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.101 -0.999 . . . . 0.0 108.779 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.19 158.4 42.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.802 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.25 133.14 51.55 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.0 t -90.48 115.32 27.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.764 -1.21 . . . . 0.0 109.62 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -113.97 121.73 44.78 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.544 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 97.9 t -122.21 84.08 46.01 Favored Pre-proline 0 N--CA 1.494 1.737 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -84.92 63.31 6.28 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 122.622 2.215 . . . . 0.0 111.527 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 25.9 t90 -70.0 130.48 89.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.405 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.501 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.6 Cg_exo -41.55 148.37 0.3 Allowed 'Trans proline' 0 N--CA 1.487 1.116 0 C-N-CA 121.27 1.313 . . . . 0.0 110.506 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.6 t-20 -130.83 -45.54 1.05 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.286 -0.884 . . . . 0.0 109.397 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.44 123.24 33.99 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -81.71 107.0 14.09 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.69 134.82 35.51 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.752 0.787 . . . . 0.0 110.0 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -91.69 115.04 63.78 Favored Pre-proline 0 C--N 1.3 -1.583 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -89.93 -48.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.387 1.391 . . . . 0.0 113.795 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.65 -43.72 2.26 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.9 p90 -59.99 -49.83 76.15 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 112.604 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.7 t30 -69.97 -42.44 73.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 119.951 -1.718 . . . . 0.0 109.35 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.99 -50.9 71.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 0.0 110.685 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.75 -43.07 99.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.87 -1.143 . . . . 0.0 109.341 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 72.4 p -69.77 -40.06 76.3 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.347 -0.846 . . . . 0.0 109.596 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.413 ' N ' ' HG1' ' B' ' 85' ' ' THR . 41.0 t-105 -67.68 -39.95 84.45 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.09 -40.81 90.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.892 -1.13 . . . . 0.0 109.077 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.47 -40.68 95.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.018 -1.051 . . . . 0.0 108.702 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.474 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.322 -0.861 . . . . 0.0 109.115 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.214 -0.929 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.4 -40.6 97.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.87 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -60.04 -43.07 95.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.393 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.97 -40.05 85.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.349 -0.844 . . . . 0.0 109.384 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -61.04 -40.62 94.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.178 -0.951 . . . . 0.0 110.796 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.746 -1.221 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.77 -42.85 97.7 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.127 -0.983 . . . . 0.0 109.467 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -44.77 94.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.988 -1.07 . . . . 0.0 109.688 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.71 -41.05 98.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.142 -0.974 . . . . 0.0 109.343 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.673 ' ND2' ' HE ' ' A' ' 23' ' ' ARG . 56.0 t-20 -64.14 -45.56 88.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.161 -0.962 . . . . 0.0 109.042 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.41 HG22 HD11 ' B' ' 100' ' ' ILE . 97.5 mt -60.19 -46.35 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.449 -0.782 . . . . 0.0 109.514 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -60.06 -41.83 93.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -0.937 . . . . 0.0 109.496 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.319 -0.863 . . . . 0.0 108.908 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.96 -45.48 92.54 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.321 -0.862 . . . . 0.0 109.051 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.34 -43.64 96.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.0 -45.12 93.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 109.015 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.82 -40.56 97.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.41 -0.806 . . . . 0.0 109.802 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.85 95.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.306 -0.871 . . . . 0.0 109.23 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -60.95 -43.11 99.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.484 ' CG2' ' NZ ' ' B' ' 113' ' ' LYS . 97.4 mt -69.75 -42.74 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.27 -0.893 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.441 HE22 ' CG ' ' A' ' 12' ' ' GLN . 56.7 tt0 -68.67 -39.95 80.39 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.403 -0.81 . . . . 0.0 109.065 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.01 -46.41 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.409 -0.807 . . . . 0.0 109.396 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.21 -40.78 98.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.161 -0.962 . . . . 0.0 109.324 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.484 ' NZ ' ' CG2' ' B' ' 109' ' ' ILE . 55.6 mttp -62.8 -43.33 99.09 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.846 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.74 -45.83 92.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.84 -39.94 79.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.025 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.0 -45.72 91.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.343 -0.848 . . . . 0.0 108.91 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.72 -40.06 90.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.929 . . . . 0.0 109.215 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.01 -42.42 94.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.94 -40.01 91.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.16 -40.01 88.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 109.479 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.93 -48.38 81.94 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -116.18 58.32 0.75 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.4 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.5 t . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.659 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.2 mt-30 -70.34 144.33 51.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.282 -0.886 . . . . 0.0 109.368 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -88.62 57.94 4.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.05 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.61 -39.96 92.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.477 -0.764 . . . . 0.0 109.126 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.435 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 13.2 t -60.16 -45.49 92.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.298 -0.876 . . . . 0.0 109.452 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' C' ' 5' ' ' THR . 63.1 tp -60.03 -44.78 94.4 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.078 -1.014 . . . . 0.0 108.706 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.2 -39.99 88.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.366 -0.834 . . . . 0.0 109.835 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.02 87.8 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 108.304 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.88 -45.63 56.66 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 108.832 -1.707 . . . . 0.0 108.832 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.74 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.258 -1.143 . . . . 0.0 109.664 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.57 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.99 -1.069 . . . . 0.0 108.777 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -60.64 -40.79 93.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.476 -0.765 . . . . 0.0 109.376 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.8 tp-100 -60.22 -41.91 94.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.275 -0.891 . . . . 0.0 109.928 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.39 -40.83 92.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.044 -1.035 . . . . 0.0 109.373 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.47 -42.89 97.13 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.213 -0.929 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.5 mt-30 -62.12 -42.24 99.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 109.512 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -42.23 98.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.32 -0.862 . . . . 0.0 109.169 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.99 -43.65 95.02 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.4 -0.813 . . . . 0.0 108.942 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . 0.492 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.8 t0 -60.05 -45.64 92.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.392 -0.817 . . . . 0.0 109.896 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.96 -40.07 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.085 -1.01 . . . . 0.0 109.682 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.99 -40.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.065 -1.022 . . . . 0.0 108.566 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.464 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 63.7 tttm -60.46 -40.71 92.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.576 -0.703 . . . . 0.0 109.692 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.684 ' HE ' ' ND2' ' A' ' 99' ' ' ASN . 10.2 mpt_? -59.96 -41.16 91.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.218 -0.926 . . . . 0.0 109.503 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.135 -0.978 . . . . 0.0 108.948 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.06 -49.31 78.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 10.3 mp0 -63.52 -40.16 96.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.684 -1.26 . . . . 0.0 109.703 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.1 -41.76 97.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.0 109.646 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.433 ' O ' ' OG1' ' C' ' 31' ' ' THR . 26.1 mt -59.96 -40.0 87.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 109.505 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.14 -40.49 90.01 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.147 -0.971 . . . . 0.0 109.672 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.479 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 98.1 mt -62.22 -40.25 95.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.046 -1.034 . . . . 0.0 109.586 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 81.4 p -63.8 -40.04 95.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.79 -40.05 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.21 -0.931 . . . . 0.0 109.279 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.96 -47.51 85.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 0.0 110.044 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.57 -48.83 73.88 Favored Glycine 0 N--CA 1.486 2.016 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.95 75.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.036 -1.273 . . . . 0.0 109.837 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.82 -40.05 91.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.091 -1.006 . . . . 0.0 109.64 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.694 HD22 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.01 -41.24 91.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.197 -0.939 . . . . 0.0 109.991 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -40.24 94.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.998 -1.064 . . . . 0.0 110.027 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -59.98 -42.5 94.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.087 -1.008 . . . . 0.0 109.279 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.439 ' O ' ' OG1' ' C' ' 43' ' ' THR . 64.8 p -62.25 -39.97 94.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.111 -0.993 . . . . 0.0 108.651 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.694 HH21 HD22 ' C' ' 37' ' ' ASN . 44.6 mtt-85 -67.66 -39.99 84.5 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.28 -40.97 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.373 -0.829 . . . . 0.0 109.18 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 40' ' ' THR . 43.5 p -60.01 -39.94 87.52 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.079 -1.013 . . . . 0.0 109.238 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.99 93.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.935 -1.103 . . . . 0.0 108.447 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.21 -39.91 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.179 -0.951 . . . . 0.0 109.454 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.55 -41.89 98.03 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.922 -1.111 . . . . 0.0 108.648 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -65.03 -39.99 94.18 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.519 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.557 -1.339 . . . . 0.0 109.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.01 -40.09 88.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.527 -1.358 . . . . 0.0 108.064 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -61.34 -39.9 92.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.508 -0.745 . . . . 0.0 109.159 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.536 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -57.05 -40.1 76.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.901 -1.124 . . . . 0.0 108.364 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.64 77.6 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.312 -0.868 . . . . 0.0 108.699 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.05 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.26 116.5 11.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.986 -1.071 . . . . 0.0 108.677 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 33.4 m120 -133.54 -58.86 0.87 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.315 -0.866 . . . . 0.0 110.684 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -153.95 116.33 4.36 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.155 -0.966 . . . . 0.0 110.403 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -100.27 121.78 42.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.445 -0.785 . . . . 0.0 110.307 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 66.32 26.84 72.71 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.981 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -76.66 23.66 0.16 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.66 -1.494 . . . . 0.0 109.653 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.01 105.85 1.57 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.794 -1.191 . . . . 0.0 110.621 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -104.41 11.69 34.28 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.154 -0.966 . . . . 0.0 109.444 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.481 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 60.0 mtp180 -131.5 23.68 4.75 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.562 ' N ' HE21 ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.97 152.7 35.38 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.433 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.79 58.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.027 -1.046 . . . . 0.0 108.835 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.31 158.4 42.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.461 -0.774 . . . . 0.0 109.8 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.1 133.11 51.75 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 7.1 t -90.35 115.16 27.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.834 -1.166 . . . . 0.0 109.6 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -114.2 121.63 44.31 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.551 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 98.2 t -122.04 84.15 45.0 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.68 63.05 6.45 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.629 2.219 . . . . 0.0 111.507 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.2 t90 -70.04 130.48 89.76 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.433 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.503 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.9 Cg_exo -41.35 148.33 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.265 1.31 . . . . 0.0 110.489 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 20.3 t-20 -130.92 -45.31 1.04 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.229 -0.919 . . . . 0.0 109.368 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 123.39 34.18 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 38.5 t -81.6 106.5 13.6 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.31 134.9 35.65 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.767 0.794 . . . . 0.0 109.895 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -91.84 115.32 64.36 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -90.23 -48.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.358 1.372 . . . . 0.0 113.805 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.55 -43.73 2.27 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.93 -49.78 76.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.388 -1.445 . . . . 0.0 112.552 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 57.7 t30 -70.08 -42.64 72.51 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 119.888 -1.757 . . . . 0.0 109.384 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -60.11 -50.53 73.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.334 -0.854 . . . . 0.0 110.639 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.87 -43.24 99.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.181 . . . . 0.0 109.342 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' THR . . . . . 0.412 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 68.6 p -69.66 -39.99 76.72 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 109.464 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.412 ' N ' ' HG1' ' C' ' 85' ' ' THR . 40.2 t-105 -67.82 -40.02 83.84 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.944 -1.097 . . . . 0.0 109.727 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -59.96 -41.02 91.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.798 -1.189 . . . . 0.0 109.088 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.14 -40.96 95.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.036 -1.04 . . . . 0.0 108.782 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.475 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.5 t90 -59.95 -50.0 75.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.373 -0.829 . . . . 0.0 109.122 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -40.1 95.01 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.548 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.37 -40.54 97.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.912 . . . . 0.0 109.911 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -59.96 -43.44 95.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.971 -1.081 . . . . 0.0 109.299 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -40.0 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.81 -40.58 93.25 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.0 110.826 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.57 -39.97 80.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.698 -1.251 . . . . 0.0 109.279 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.72 -42.67 97.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.215 -0.928 . . . . 0.0 109.501 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.17 -45.09 94.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.606 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.46 -41.49 98.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.16 -0.962 . . . . 0.0 109.37 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.67 ' ND2' ' HE ' ' B' ' 23' ' ' ARG . 55.6 t-20 -63.7 -45.6 89.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.164 -0.96 . . . . 0.0 109.075 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -46.34 94.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.455 -0.778 . . . . 0.0 109.528 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 35.9 p -60.04 -41.89 93.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.525 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.05 83.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.863 . . . . 0.0 108.961 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.01 -45.42 92.82 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 109.087 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.42 -43.5 96.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 109.572 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.05 -45.15 93.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.194 -0.941 . . . . 0.0 108.896 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.71 -40.4 97.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.462 -0.774 . . . . 0.0 109.762 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.7 94.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.264 -0.897 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.12 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.274 -0.891 . . . . 0.0 109.461 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.476 ' CG2' ' NZ ' ' C' ' 113' ' ' LYS . 97.4 mt -69.8 -43.12 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.253 -0.904 . . . . 0.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 56.9 tt0 -68.22 -40.1 82.18 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.446 -0.784 . . . . 0.0 109.056 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -59.91 -47.08 87.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -0.828 . . . . 0.0 109.351 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.38 -41.52 98.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.04 -1.037 . . . . 0.0 109.392 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . 0.476 ' NZ ' ' CG2' ' C' ' 109' ' ' ILE . 55.4 mttp -62.13 -43.35 99.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.0 109.913 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.81 -45.83 92.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.876 -1.14 . . . . 0.0 109.615 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.8 -39.94 79.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.014 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.03 -45.95 91.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 108.892 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.52 -40.03 89.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.287 -0.883 . . . . 0.0 109.153 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.05 -42.6 94.83 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.76 -40.06 91.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 109.411 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.02 -39.96 87.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -0.808 . . . . 0.0 109.714 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.87 -48.33 82.14 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -116.34 58.24 0.75 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.608 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.8 mt-30 -70.1 144.29 52.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.0 109.572 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.52 59.37 5.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.007 . . . . 0.0 109.135 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.82 -39.95 91.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.043 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -41.75 93.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.168 -0.957 . . . . 0.0 109.469 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.98 -45.55 92.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.124 -0.985 . . . . 0.0 108.357 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.5 mt -60.06 -39.46 86.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.685 -0.634 . . . . 0.0 109.379 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.58 88.32 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.79 -45.9 71.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.53 -46.31 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -1.075 . . . . 0.0 109.904 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -42.43 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.997 -1.065 . . . . 0.0 108.882 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.47 -39.87 94.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 109.569 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -59.95 -43.07 95.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.855 . . . . 0.0 109.306 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.61 -40.83 96.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.998 -1.064 . . . . 0.0 109.461 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.01 -42.54 94.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.385 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.76 -40.58 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.881 . . . . 0.0 109.704 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.26 -40.66 98.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.158 -0.963 . . . . 0.0 109.196 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.18 -43.26 96.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.254 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.02 -47.46 85.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.262 -0.899 . . . . 0.0 109.932 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.01 -40.09 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 0.0 109.212 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -41.71 87.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.78 -40.01 94.56 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 31.8 mmt180 -60.19 -40.63 90.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.178 -0.951 . . . . 0.0 109.149 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.05 -48.7 80.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.26 -42.02 99.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.928 -1.107 . . . . 0.0 109.453 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.64 -40.78 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.116 -0.99 . . . . 0.0 109.125 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.0 -40.15 88.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.307 -0.87 . . . . 0.0 109.549 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.2 mtt-85 -60.96 -40.26 92.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.8 mt -63.22 -39.97 96.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.0 109.425 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.3 p -65.95 -39.96 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.6 t -60.79 -41.02 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.92 -41.58 92.05 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.351 -0.843 . . . . 0.0 109.766 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.0 -45.85 93.28 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -59.97 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.321 . . . . 0.0 108.864 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -61.88 -40.01 93.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.118 -0.989 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.01 -40.57 89.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.51 -40.01 89.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.128 -0.983 . . . . 0.0 108.876 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.68 89.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.207 -0.933 . . . . 0.0 109.535 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 43' ' ' THR . 49.0 p -60.51 -42.63 96.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.062 -1.024 . . . . 0.0 109.47 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.546 HH22 ' CG ' ' B' ' 82' ' ' ASN . 39.6 mtt-85 -64.09 -39.97 95.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.96 -42.96 96.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.77 -0.581 . . . . 0.0 109.604 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 40' ' ' THR . 23.1 p -60.06 -40.27 88.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.0 109.781 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.7 94.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.07 -1.019 . . . . 0.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -60.07 -39.31 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.704 -0.622 . . . . 0.0 109.538 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.5 -40.06 85.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.114 -0.991 . . . . 0.0 109.079 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -64.73 -40.67 95.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.783 -1.198 . . . . 0.0 109.122 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -70.0 -38.53 76.0 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.208 -0.932 . . . . 0.0 109.168 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.908 -1.12 . . . . 0.0 109.138 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -60.09 -40.12 88.48 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.838 -1.164 . . . . 0.0 108.325 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.444 -0.785 . . . . 0.0 109.809 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.681 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -59.13 -39.79 83.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.661 -1.274 . . . . 0.0 108.807 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.39 -39.34 83.07 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -39.4 85.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 108.917 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.72 117.11 9.19 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 29.9 m120 -132.8 -64.16 0.76 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.446 -0.784 . . . . 0.0 110.312 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.56 117.05 3.98 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.124 -0.985 . . . . 0.0 109.838 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -99.61 128.74 45.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.326 -0.859 . . . . 0.0 110.095 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.39 20.47 65.53 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.491 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.45 23.6 0.11 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.617 -1.52 . . . . 0.0 109.011 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.69 106.77 2.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.658 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -120.0 11.68 11.79 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 23.6 ttt180 -138.27 22.13 2.77 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.55 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.23 152.09 35.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.987 -1.071 . . . . 0.0 108.445 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.87 58.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.48 157.54 43.14 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.582 -0.699 . . . . 0.0 109.391 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -129.06 132.46 47.45 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.81 113.09 25.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.823 -1.173 . . . . 0.0 109.683 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -113.51 122.44 47.28 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 79.8 t -129.49 83.0 66.29 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.467 -0.77 . . . . 0.0 109.946 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.38 62.6 5.76 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.71 2.273 . . . . 0.0 111.165 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.3 t90 -68.81 132.16 90.82 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 76.9 Cg_exo -38.27 149.76 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.652 1.568 . . . . 0.0 111.184 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.676 HD22 ' NE2' ' C' ' 52' ' ' GLN . 43.5 t-20 -129.05 -57.13 1.17 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.346 -0.846 . . . . 0.0 109.148 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 124.04 34.7 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.37 107.93 15.41 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.81 136.26 34.7 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.533 0.682 . . . . 0.0 110.325 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.51 110.36 50.51 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.773 -0.579 . . . . 0.0 109.734 179.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -93.66 -47.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.493 1.462 . . . . 0.0 113.542 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -121.71 -47.73 2.19 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.429 -0.794 . . . . 0.0 112.667 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.711 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.4 p90 -60.06 -58.16 9.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.455 -1.403 . . . . 0.0 112.558 -176.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.8 OUTLIER -79.69 -39.86 30.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.225 -1.547 . . . . 0.0 109.644 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.94 -48.69 80.67 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.186 -0.947 . . . . 0.0 109.819 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.87 -44.67 96.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.035 -1.041 . . . . 0.0 109.745 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.8 p -61.91 -40.01 93.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.087 -1.008 . . . . 0.0 109.721 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.05 -40.0 91.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.071 . . . . 0.0 109.53 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.902 -1.124 . . . . 0.0 108.666 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.11 -41.77 93.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.219 -0.925 . . . . 0.0 108.652 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.2 t90 -59.93 -49.8 76.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.607 -0.683 . . . . 0.0 109.445 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.0 95.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.16 -0.963 . . . . 0.0 109.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -41.85 93.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.191 -0.943 . . . . 0.0 110.605 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -60.08 -42.14 93.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.941 -1.099 . . . . 0.0 109.52 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.15 -40.41 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.159 -0.963 . . . . 0.0 108.713 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.98 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.957 -1.089 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -40.06 87.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.113 -0.992 . . . . 0.0 109.128 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.11 -47.62 85.15 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.305 -0.872 . . . . 0.0 109.439 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.01 -45.72 91.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.745 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.498 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.05 -43.4 95.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 100' ' ' ILE . 92.3 mt -60.13 -46.01 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.05 -1.031 . . . . 0.0 109.543 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.4 p -62.52 -41.1 98.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.08 -1.013 . . . . 0.0 109.699 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.78 76.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.185 -0.947 . . . . 0.0 109.783 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.99 -42.62 98.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.204 -0.935 . . . . 0.0 109.753 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.97 -44.46 94.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 0.0 109.049 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.0 -47.72 84.66 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.114 -0.991 . . . . 0.0 108.762 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.47 -40.17 96.4 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.424 -0.798 . . . . 0.0 109.519 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.36 96.42 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.088 -1.008 . . . . 0.0 109.208 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -59.97 -49.0 79.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.2 -0.937 . . . . 0.0 109.621 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.97 -49.63 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.368 -0.832 . . . . 0.0 109.207 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.67 -40.07 94.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.02 -46.19 90.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 0.0 109.661 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.19 -40.91 94.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -61.87 -40.59 95.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.0 110.0 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.03 -43.37 98.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.011 -1.055 . . . . 0.0 109.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.72 -39.99 88.22 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.0 108.674 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.98 -49.65 76.85 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.62 -0.675 . . . . 0.0 109.533 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.2 -39.94 88.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.028 . . . . 0.0 109.478 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.45 -41.15 93.49 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.369 -0.832 . . . . 0.0 109.785 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -62.34 -41.37 98.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.104 -0.997 . . . . 0.0 109.933 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.51 -38.38 84.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.7 61.78 1.4 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.492 -0.755 . . . . 0.0 109.39 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.851 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 96.8 mt-30 -70.14 144.33 52.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.62 59.56 5.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.065 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.8 -40.01 91.48 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.469 -0.769 . . . . 0.0 109.138 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -42.02 93.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.277 -0.89 . . . . 0.0 109.506 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.0 -45.21 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.15 -0.969 . . . . 0.0 108.462 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.0 -39.9 87.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.693 -0.629 . . . . 0.0 109.399 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.72 87.81 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.68 -45.92 72.39 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.6 -46.4 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -1.057 . . . . 0.0 109.886 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -42.41 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.076 -1.015 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.55 -39.77 94.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 109.555 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.851 . . . . 0.0 109.316 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.78 -40.73 96.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.445 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.06 -42.46 94.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.211 -0.93 . . . . 0.0 109.416 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.93 -40.4 96.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.314 -0.866 . . . . 0.0 109.634 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.34 -40.77 98.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.153 -0.967 . . . . 0.0 109.187 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.33 -0.856 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -47.35 86.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.295 -0.878 . . . . 0.0 109.879 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.049 -1.032 . . . . 0.0 109.296 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -41.96 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.53 -40.1 94.99 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.487 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 31.9 mmt180 -60.17 -40.66 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.106 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.244 -0.91 . . . . 0.0 109.205 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.98 -48.19 82.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 109.671 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.88 -41.55 97.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.071 -1.018 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.07 -40.45 95.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.225 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.07 -40.51 89.74 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.333 -0.854 . . . . 0.0 109.461 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' B' ' 29' ' ' ARG . 43.0 mtt-85 -60.56 -40.73 92.69 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.109 -0.994 . . . . 0.0 109.571 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.457 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.77 -40.22 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.163 -0.961 . . . . 0.0 109.422 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -65.88 -39.99 91.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.962 . . . . 0.0 109.55 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.67 -41.12 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.235 -0.916 . . . . 0.0 109.099 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.274 -0.891 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.3 -45.76 93.8 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.318 . . . . 0.0 108.842 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 109.23 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -40.96 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 0.0 110.158 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.07 -40.04 88.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.142 -0.974 . . . . 0.0 108.94 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.01 -40.64 89.98 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.582 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.7 p -60.46 -42.6 96.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.053 -1.029 . . . . 0.0 109.514 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.519 HH22 ' CG ' ' C' ' 82' ' ' ASN . 40.3 mtt-85 -64.31 -40.04 95.13 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -61.55 -43.47 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 23.6 p -59.97 -40.09 87.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.066 -1.021 . . . . 0.0 109.76 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.985 -1.072 . . . . 0.0 108.402 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.13 -39.29 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.701 -0.624 . . . . 0.0 109.527 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.139 -0.976 . . . . 0.0 109.111 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.39 -41.08 96.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.717 -1.24 . . . . 0.0 109.028 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.1 m-85 -70.02 -38.37 75.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.18 -0.95 . . . . 0.0 109.201 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.01 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.742 -1.224 . . . . 0.0 109.066 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.1 -40.06 88.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.812 -1.18 . . . . 0.0 108.268 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.477 -0.764 . . . . 0.0 109.808 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.673 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.11 -40.04 84.14 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.566 -1.334 . . . . 0.0 108.79 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.43 81.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.809 -1.182 . . . . 0.0 107.811 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -39.43 85.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 108.885 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.71 117.16 9.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.977 -1.077 . . . . 0.0 108.216 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 30.4 m120 -132.74 -63.96 0.76 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.387 -0.821 . . . . 0.0 110.37 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.82 116.97 3.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.099 -1.001 . . . . 0.0 109.815 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -99.55 128.61 45.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 64.47 20.55 65.78 Favored Glycine 0 N--CA 1.491 2.333 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.51 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.47 23.7 0.11 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.645 -1.503 . . . . 0.0 108.987 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.9 106.67 2.26 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -119.91 11.54 11.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 24.0 ttt180 -138.05 22.37 2.82 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.553 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.67 152.11 34.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.935 -1.103 . . . . 0.0 108.332 178.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.89 58.15 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.059 -1.026 . . . . 0.0 108.251 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.67 157.43 42.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.43 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -128.84 132.53 47.79 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.63 113.08 25.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.784 -1.198 . . . . 0.0 109.616 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -113.65 122.39 47.02 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.526 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 78.8 t -129.6 83.11 65.66 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.5 -0.75 . . . . 0.0 109.903 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -85.44 62.63 5.71 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.787 2.325 . . . . 0.0 111.061 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -68.77 132.22 90.85 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' B' ' 72' ' ' TRP . 78.5 Cg_exo -38.26 149.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.634 1.556 . . . . 0.0 111.248 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.681 HD22 ' NE2' ' A' ' 52' ' ' GLN . 43.2 t-20 -129.26 -56.99 1.16 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.389 -0.819 . . . . 0.0 109.216 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.76 124.13 34.88 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.4 t -82.34 107.68 15.2 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.9 mt -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.583 0.706 . . . . 0.0 110.286 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -95.3 110.25 49.5 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.768 -0.582 . . . . 0.0 109.733 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -93.69 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.492 1.461 . . . . 0.0 113.504 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -121.69 -47.71 2.19 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.412 -0.805 . . . . 0.0 112.607 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.713 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.1 p90 -60.12 -58.04 10.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.493 -1.379 . . . . 0.0 112.599 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.713 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.8 OUTLIER -79.79 -39.96 29.7 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.155 -1.59 . . . . 0.0 109.655 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.0 -48.73 80.5 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.693 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.65 -44.82 95.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.93 -1.106 . . . . 0.0 109.7 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 48.1 p -61.89 -40.03 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.06 -1.025 . . . . 0.0 109.755 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -61.19 -40.0 92.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.965 -1.085 . . . . 0.0 109.523 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.06 -41.14 91.69 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.945 -1.097 . . . . 0.0 108.699 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -41.57 93.32 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 68.7 t90 -60.02 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.511 -0.743 . . . . 0.0 109.328 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -43.03 95.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 0.0 109.825 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -41.77 92.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.193 -0.942 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -60.08 -42.3 94.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.921 -1.112 . . . . 0.0 109.479 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.94 -40.54 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.098 -1.001 . . . . 0.0 108.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.05 -49.31 78.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.476 -0.765 . . . . 0.0 109.908 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -60.09 -46.37 89.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.97 -1.081 . . . . 0.0 109.817 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.05 -40.06 87.05 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.081 -1.012 . . . . 0.0 109.157 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.19 -47.25 86.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.452 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.24 -45.71 92.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 109.683 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.458 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.0 -43.83 94.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.0 -45.94 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.062 -1.024 . . . . 0.0 109.635 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 47.8 p -62.7 -40.79 98.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.048 -1.032 . . . . 0.0 109.601 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.82 75.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.92 . . . . 0.0 109.78 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.9 -42.7 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.04 -44.29 94.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 109.078 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.01 -47.42 85.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.146 -0.971 . . . . 0.0 108.806 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.88 -40.23 96.04 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.388 -0.82 . . . . 0.0 109.49 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.4 96.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 0.0 109.213 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.97 -49.27 78.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.487 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.98 -49.31 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.203 -0.936 . . . . 0.0 109.176 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.81 -40.17 94.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.082 -1.011 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -60.0 -45.25 93.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 0.0 109.698 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.34 -40.02 89.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 109.549 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.79 -40.04 96.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.49 -42.81 98.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.0 109.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -67.26 -40.01 86.16 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.221 -0.924 . . . . 0.0 108.598 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.0 -49.41 77.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.653 -0.654 . . . . 0.0 109.493 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -39.97 89.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.123 -0.986 . . . . 0.0 109.46 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.31 -41.0 92.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.824 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.6 mt-30 -62.62 -41.3 98.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 109.958 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.49 -38.11 83.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.244 -0.91 . . . . 0.0 109.398 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.55 -47.68 84.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.61 61.72 1.4 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.565 -0.709 . . . . 0.0 109.321 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.461 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.84 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.442 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.442 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 96.9 mt-30 -70.3 144.32 51.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.0 109.416 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -88.42 59.28 5.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.17 -0.956 . . . . 0.0 109.158 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.65 -40.01 92.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.46 -0.775 . . . . 0.0 109.036 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -42.13 93.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.275 -0.891 . . . . 0.0 109.484 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.96 -45.32 93.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 108.374 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.611 -0.681 . . . . 0.0 109.433 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.61 88.29 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.61 -46.09 71.65 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.35 -46.43 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -1.095 . . . . 0.0 109.995 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.06 -42.39 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.113 -0.992 . . . . 0.0 108.85 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.46 -39.8 94.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.488 -0.758 . . . . 0.0 109.557 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -59.94 -43.24 95.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.344 -0.848 . . . . 0.0 109.322 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.39 -40.82 95.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.026 -1.046 . . . . 0.0 109.431 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.08 -42.13 93.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.486 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.21 -39.94 95.03 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.881 . . . . 0.0 109.643 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.87 -40.66 97.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.166 -0.959 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.14 -43.09 95.96 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.332 -0.855 . . . . 0.0 109.318 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.95 -47.75 84.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.851 . . . . 0.0 109.924 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.98 -40.0 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.212 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -41.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -64.69 -39.96 94.56 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.498 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 31.9 mmt180 -60.37 -40.53 91.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 109.084 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.0 109.26 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -59.99 -48.3 82.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.58 -41.7 98.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.115 -0.991 . . . . 0.0 109.469 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.03 -40.47 95.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.052 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.25 -40.27 89.72 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.564 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' C' ' 29' ' ' ARG . 43.1 mtt-85 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.126 -0.984 . . . . 0.0 109.549 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.5 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.9 mt -63.11 -40.02 96.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 109.455 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -66.16 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.536 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.6 -41.05 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.339 -0.85 . . . . 0.0 109.137 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.339 -0.851 . . . . 0.0 109.712 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.83 -45.85 93.05 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 40.1 m -60.03 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.988 -1.301 . . . . 0.0 108.745 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -62.09 -39.98 94.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.183 -0.948 . . . . 0.0 109.213 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.96 -40.99 90.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 110.078 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.09 -40.06 88.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.117 -0.989 . . . . 0.0 108.974 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.65 90.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.489 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.36 -43.09 96.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.03 -1.044 . . . . 0.0 109.41 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.513 HH22 ' CG ' ' A' ' 82' ' ' ASN . 39.5 mtt-85 -63.86 -39.99 95.51 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.77 -43.17 96.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.687 -0.633 . . . . 0.0 109.648 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 24.2 p -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.06 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.83 94.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 108.386 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.01 -39.25 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.686 -0.634 . . . . 0.0 109.588 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.71 -40.02 86.55 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.221 -0.924 . . . . 0.0 109.112 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.42 -41.12 96.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.867 -1.146 . . . . 0.0 109.135 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.2 m-85 -70.03 -38.23 75.83 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.243 -0.91 . . . . 0.0 109.241 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.159 . . . . 0.0 109.092 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -60.05 -40.18 88.55 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.849 -1.157 . . . . 0.0 108.317 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.03 -39.78 87.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.376 -0.828 . . . . 0.0 109.7 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.676 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.4 -39.91 84.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.634 -1.291 . . . . 0.0 108.794 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.42 81.4 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.846 -1.159 . . . . 0.0 107.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -39.41 85.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.87 117.17 9.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.995 -1.066 . . . . 0.0 108.166 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 30.5 m120 -132.85 -64.03 0.76 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.435 -0.79 . . . . 0.0 110.352 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.64 116.97 3.94 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.171 -0.956 . . . . 0.0 109.897 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -99.59 128.39 45.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.279 -0.888 . . . . 0.0 110.237 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.531 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.53 20.45 65.82 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.934 -1.126 . . . . 0.0 110.485 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -75.38 23.56 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.721 -1.458 . . . . 0.0 109.013 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.531 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.68 106.73 2.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.62 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -120.02 11.8 11.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 23.9 ttt180 -138.3 22.26 2.77 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.555 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.5 152.09 35.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.934 -1.104 . . . . 0.0 108.334 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -100.85 58.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.077 -1.014 . . . . 0.0 108.321 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.45 157.49 43.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.497 -0.752 . . . . 0.0 109.39 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -128.79 132.52 47.88 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.74 113.09 25.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.789 -1.195 . . . . 0.0 109.698 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -113.72 122.48 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.531 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 80.3 t -129.54 82.83 66.55 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -85.21 62.71 5.94 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.669 2.246 . . . . 0.0 111.113 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 15.7 t90 -68.81 132.18 90.81 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.556 -0.715 . . . . 0.0 109.183 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.2 Cg_exo -38.26 149.75 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 121.557 1.505 . . . . 0.0 111.314 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.673 HD22 ' NE2' ' B' ' 52' ' ' GLN . 43.5 t-20 -129.13 -57.04 1.17 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.371 -0.831 . . . . 0.0 109.204 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.67 124.05 34.77 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.31 107.57 15.09 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.68 136.2 34.81 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.556 0.693 . . . . 0.0 110.216 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -95.32 110.29 49.72 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.836 -0.54 . . . . 0.0 109.683 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -93.71 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.179 0 C-N-CA 121.538 1.492 . . . . 0.0 113.528 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -121.65 -47.73 2.19 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.487 -0.758 . . . . 0.0 112.661 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.703 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.2 p90 -60.08 -58.08 10.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.479 -1.388 . . . . 0.0 112.636 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.703 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.8 OUTLIER -79.76 -39.86 30.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.592 -178.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.98 -48.92 79.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.173 -0.954 . . . . 0.0 109.696 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.6 -44.64 96.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.811 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 47.0 p -61.78 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.37 -40.05 92.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.027 -1.045 . . . . 0.0 109.475 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.94 -41.06 90.99 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.907 -1.121 . . . . 0.0 108.815 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.48 93.32 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.309 -0.869 . . . . 0.0 108.74 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.457 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 68.8 t90 -59.98 -49.91 75.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.601 -0.687 . . . . 0.0 109.358 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.04 95.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.221 -0.924 . . . . 0.0 109.809 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.123 -0.985 . . . . 0.0 110.519 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -60.04 -42.12 93.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.895 -1.128 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.08 -40.42 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.126 -0.984 . . . . 0.0 108.771 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.05 -49.48 77.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -60.0 -46.54 89.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.932 -1.105 . . . . 0.0 109.774 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.83 -40.06 87.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.175 -0.953 . . . . 0.0 109.226 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -47.62 85.11 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -45.58 92.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.858 . . . . 0.0 109.741 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.487 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.9 t-20 -59.99 -43.96 94.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.106 -0.996 . . . . 0.0 109.761 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . 0.42 HD11 HG22 ' C' ' 100' ' ' ILE . 92.7 mt -59.99 -45.98 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.976 -1.077 . . . . 0.0 109.629 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 47.5 p -62.63 -40.82 98.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.075 -1.015 . . . . 0.0 109.581 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.53 77.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.983 . . . . 0.0 109.859 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.34 -42.55 98.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.714 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.02 -44.34 94.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.207 -0.933 . . . . 0.0 109.075 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.99 -47.68 84.81 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.115 -0.99 . . . . 0.0 108.783 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.48 -40.78 97.99 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.396 -0.815 . . . . 0.0 109.424 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.41 96.75 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.127 -0.983 . . . . 0.0 109.329 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -59.99 -49.17 78.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.911 . . . . 0.0 109.562 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 93.0 mt -59.98 -49.29 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.203 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.91 -39.98 94.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.0 109.921 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.18 -45.35 93.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.38 -40.11 89.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.61 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.922 . . . . 0.0 109.878 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.44 -43.21 98.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.946 -1.096 . . . . 0.0 109.389 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.92 -40.0 87.54 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.92 -49.41 77.81 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.6 -0.688 . . . . 0.0 109.573 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.95 89.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 109.411 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.46 -41.73 98.97 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -59.91 -38.12 81.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.926 . . . . 0.0 109.734 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.58 -47.51 85.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -127.9 62.05 1.42 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.616 -0.678 . . . . 0.0 109.329 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.459 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.939 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.431 ' H1 ' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.431 ' H ' ' H1 ' ' A' ' 1' ' ' ALA . 28.3 mp0 -72.35 145.33 47.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.404 -0.81 . . . . 0.0 109.778 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -89.09 61.34 5.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.82 -40.03 96.14 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.52 -0.738 . . . . 0.0 109.153 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -60.03 -45.08 93.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.24 -0.912 . . . . 0.0 109.219 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.43 -41.56 94.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 109.133 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.02 -40.03 87.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.818 . . . . 0.0 109.576 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.28 88.58 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.173 -0.954 . . . . 0.0 108.914 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.39 -45.0 57.08 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 10' ' ' ILE . 96.6 mt -59.94 -47.99 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.286 -1.126 . . . . 0.0 109.52 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -44.49 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 108.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.67 -40.2 94.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.215 -0.928 . . . . 0.0 109.421 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -41.71 92.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.0 109.372 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.59 -41.38 97.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.043 -1.036 . . . . 0.0 109.145 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.09 -43.55 95.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.147 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.18 -40.22 95.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.18 -0.95 . . . . 0.0 109.405 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.79 -41.79 95.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.924 . . . . 0.0 109.075 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.59 -43.03 97.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.05 -1.031 . . . . 0.0 109.125 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.1 -48.86 79.94 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.81 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -40.43 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.067 -1.02 . . . . 0.0 109.32 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.02 -44.48 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.024 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.73 -40.74 96.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.461 -0.774 . . . . 0.0 109.281 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 45.0 mtt-85 -61.76 -39.99 93.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.393 -0.817 . . . . 0.0 109.913 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.05 -40.04 88.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.095 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.04 -45.22 93.57 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.167 -0.958 . . . . 0.0 109.554 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.29 -40.61 90.17 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.22 -40.32 95.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.089 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.15 -40.01 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.567 -0.708 . . . . 0.0 109.207 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -59.86 -41.09 90.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.847 . . . . 0.0 109.361 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 84.7 mt -62.81 -39.88 95.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.556 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 109.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.12 -40.13 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.381 -0.824 . . . . 0.0 109.296 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -59.95 -41.72 92.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.379 -0.826 . . . . 0.0 109.585 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -59.99 -50.04 75.29 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.989 -1.301 . . . . 0.0 109.995 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -61.6 -39.95 93.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.0 109.443 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -59.99 -39.93 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.356 -0.84 . . . . 0.0 109.39 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.923 -1.11 . . . . 0.0 108.163 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.99 -39.96 87.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.317 -0.864 . . . . 0.0 109.607 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.438 ' O ' ' OG1' ' A' ' 43' ' ' THR . 48.5 p -60.0 -40.65 89.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.82 -1.175 . . . . 0.0 108.9 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.569 HH22 ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -63.71 -39.99 95.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.047 -1.033 . . . . 0.0 108.515 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.35 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.47 -0.769 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 40' ' ' THR . 54.3 p -60.02 -39.91 87.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.063 -1.023 . . . . 0.0 109.703 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.95 77.16 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.585 -1.322 . . . . 0.0 108.532 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 45' ' ' ILE . 96.7 mt -64.82 -39.98 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.491 -0.755 . . . . 0.0 110.417 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.783 -1.198 . . . . 0.0 108.064 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -59.93 -46.34 89.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.308 -0.87 . . . . 0.0 109.381 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 53.9 m-85 -65.49 -40.07 92.67 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 109.669 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.97 -39.66 86.41 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.031 -1.043 . . . . 0.0 108.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.05 -39.73 86.95 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.05 -39.47 86.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 109.214 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.67 -39.96 86.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.84 -1.163 . . . . 0.0 109.027 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 72' ' ' TRP . . . -59.02 -37.06 76.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.917 -1.114 . . . . 0.0 108.602 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -39.87 87.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.215 -0.928 . . . . 0.0 108.497 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.7 109.45 7.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.969 -1.082 . . . . 0.0 108.611 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 25.1 m120 -133.44 -63.18 0.76 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.35 111.84 3.2 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.524 ' C ' ' H ' ' A' ' 60' ' ' ALA . 43.5 m95 -131.77 149.99 52.29 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 110.196 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 54.24 6.8 0.68 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -77.12 24.02 0.18 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.285 -1.126 . . . . 0.0 109.075 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.34 109.4 2.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 0.0 110.277 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -105.46 12.74 31.11 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.223 -0.923 . . . . 0.0 109.962 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 62.2 mtp180 -119.7 22.33 11.65 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.545 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.23 151.74 33.49 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.233 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.49 60.26 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.054 -1.029 . . . . 0.0 109.237 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.01 158.12 43.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.463 -0.773 . . . . 0.0 109.182 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -127.5 132.9 49.9 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 t -97.31 120.02 36.9 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.161 -0.962 . . . . 0.0 110.636 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -115.33 122.28 45.41 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.417 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 44.8 t -129.03 85.17 60.78 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.466 -0.771 . . . . 0.0 109.245 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -86.06 64.1 5.25 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.73 2.287 . . . . 0.0 111.788 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.6 t90 -69.94 131.48 89.14 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' TRP . 72.9 Cg_exo -38.31 148.08 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.512 1.475 . . . . 0.0 111.382 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 13.4 t-20 -124.8 -56.16 1.58 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.275 -0.891 . . . . 0.0 109.132 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.42 125.41 33.67 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 t -81.68 108.32 15.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.809 -1.157 . . . . 0.0 108.012 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -81.65 135.4 35.53 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.536 0.684 . . . . 0.0 109.64 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 78' ' ' THR . 15.3 t -91.54 113.14 57.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -93.96 -46.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 114.109 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -121.25 -45.76 2.33 Favored 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.9 p90 -59.99 -55.6 31.98 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.33 -1.481 . . . . 0.0 112.154 -176.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 7.9 t-20 -78.87 -39.51 35.01 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.216 -1.552 . . . . 0.0 109.701 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.95 -47.7 84.72 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.186 -0.946 . . . . 0.0 109.114 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -43.93 95.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.988 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.7 p -68.14 -39.99 82.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.002 -1.062 . . . . 0.0 109.33 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -61.38 -40.04 92.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.078 -1.014 . . . . 0.0 109.303 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.95 -42.48 94.14 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 120.963 -1.086 . . . . 0.0 108.081 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -40.06 96.17 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.542 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.8 t90 -59.96 -50.02 75.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.511 -0.743 . . . . 0.0 109.189 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.5 -39.97 94.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.192 -0.943 . . . . 0.0 109.296 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.32 -41.61 98.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 110.032 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.03 -42.55 94.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.597 -1.314 . . . . 0.0 109.303 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.26 -42.45 90.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 108.828 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.45 -40.15 93.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.421 -0.799 . . . . 0.0 110.625 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -68.89 -40.01 79.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.785 -1.197 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.17 -40.27 78.24 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.114 -0.992 . . . . 0.0 108.448 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.23 -47.28 86.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.55 -41.01 93.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.001 . . . . 0.0 109.646 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.587 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 50.7 t-20 -66.24 -40.91 90.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.118 -0.989 . . . . 0.0 109.74 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.59 -40.11 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.993 -1.067 . . . . 0.0 109.381 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.0 p -62.45 -40.19 95.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.184 -0.948 . . . . 0.0 109.703 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.36 -0.837 . . . . 0.0 109.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.65 -40.07 95.94 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.541 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.68 -44.98 95.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.963 -1.086 . . . . 0.0 109.068 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.08 83.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.17 -0.956 . . . . 0.0 108.974 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.46 -40.46 96.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.587 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.23 -44.32 97.46 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.317 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -49.7 76.66 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.148 -0.97 . . . . 0.0 109.121 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.07 -49.88 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.16 -0.963 . . . . 0.0 109.512 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.02 -40.53 98.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.559 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.0 -50.04 75.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.341 -0.849 . . . . 0.0 109.454 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.5 -42.54 96.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.164 -0.96 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.48 -42.46 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.298 -0.876 . . . . 0.0 109.767 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -0.957 . . . . 0.0 109.149 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.76 -39.94 84.1 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -60.1 -48.78 80.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 0.0 109.69 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.5 mt-30 -60.05 -41.43 92.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.809 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.0 -39.52 86.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.248 -0.907 . . . . 0.0 109.424 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.1 -47.26 85.9 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -126.11 61.96 1.26 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.095 -1.003 . . . . 0.0 109.075 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.28 145.33 47.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.242 -0.911 . . . . 0.0 109.705 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 36.0 p -88.8 61.49 6.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 109.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -62.95 -39.94 96.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.484 -0.76 . . . . 0.0 109.142 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.3 t -60.05 -45.04 94.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.37 -41.66 94.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.18 -0.95 . . . . 0.0 109.199 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.472 -0.768 . . . . 0.0 109.61 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.921 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.89 -44.83 54.86 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.414 HG22 HD11 ' B' ' 10' ' ' ILE . 96.6 mt -60.0 -47.82 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 109.552 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.0 -44.7 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.093 -1.004 . . . . 0.0 108.965 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -61.58 -39.98 93.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.998 . . . . 0.0 109.438 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.417 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.15 -41.54 96.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.063 -1.023 . . . . 0.0 109.176 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.28 -43.26 96.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.26 -0.9 . . . . 0.0 109.145 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.4 -40.23 95.84 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.205 -0.934 . . . . 0.0 109.309 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.9 -41.77 95.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.116 -0.99 . . . . 0.0 109.143 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.6 -42.87 97.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.12 -0.987 . . . . 0.0 109.171 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.04 -48.97 79.52 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.03 -40.57 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.003 -1.06 . . . . 0.0 109.332 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.94 -44.65 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.225 -0.922 . . . . 0.0 108.924 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.72 -40.62 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 0.0 109.259 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.602 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 44.1 mtt-85 -61.87 -39.98 93.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.839 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.1 -40.03 88.22 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.106 -0.996 . . . . 0.0 109.066 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.93 -45.49 92.44 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.223 -0.923 . . . . 0.0 109.418 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.92 -40.75 91.73 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.001 -1.062 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.26 -40.26 95.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.314 -0.866 . . . . 0.0 109.19 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.18 -39.97 88.35 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.515 -0.741 . . . . 0.0 109.197 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.401 ' HG2' HH11 ' B' ' 29' ' ' ARG . 49.4 mtt-85 -60.0 -41.01 91.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.404 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.518 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.4 mt -62.66 -40.18 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.299 -0.876 . . . . 0.0 109.578 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.6 p -64.76 -40.06 94.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.25 -39.99 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.211 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -60.04 -41.24 91.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.534 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.55 94.17 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.04 -50.14 74.9 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.28 . . . . 0.0 109.942 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -61.55 -39.89 92.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.283 -0.886 . . . . 0.0 109.446 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.571 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.947 -1.096 . . . . 0.0 108.264 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.02 -40.1 88.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.384 -0.823 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' B' ' 43' ' ' THR . 47.5 p -59.97 -40.27 88.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.904 -1.123 . . . . 0.0 108.997 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.546 HH22 ' CG ' ' C' ' 82' ' ' ASN . 50.0 mtt-85 -64.14 -39.94 95.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.033 -1.042 . . . . 0.0 108.195 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.51 -41.66 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.489 -0.757 . . . . 0.0 109.524 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 40' ' ' THR . 54.9 p -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.986 -1.071 . . . . 0.0 109.736 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.01 77.99 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.487 -1.383 . . . . 0.0 108.609 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.71 -40.02 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.519 -0.738 . . . . 0.0 110.444 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.837 -1.164 . . . . 0.0 108.079 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -59.99 -46.53 89.16 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.415 -0.803 . . . . 0.0 109.38 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 54.8 m-85 -65.4 -40.0 92.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.93 -39.64 86.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.0 108.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.07 -39.52 86.32 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.07 -39.29 85.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.396 -0.815 . . . . 0.0 109.237 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.7 OUTLIER -59.93 -39.87 86.99 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.802 -1.186 . . . . 0.0 109.026 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.13 76.39 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.936 -1.102 . . . . 0.0 108.506 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.98 -39.55 86.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.945 . . . . 0.0 108.507 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.0 109.52 7.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.025 -1.047 . . . . 0.0 108.669 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.3 m120 -133.58 -62.87 0.77 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.66 111.79 3.11 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.51 ' C ' ' H ' ' B' ' 60' ' ' ALA . 44.0 m95 -131.98 149.99 52.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.402 -0.811 . . . . 0.0 110.169 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 54.2 6.81 0.68 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -77.16 23.77 0.18 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.306 -1.114 . . . . 0.0 109.123 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.23 109.52 2.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.196 -0.94 . . . . 0.0 110.266 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -105.54 13.16 30.44 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.255 -0.903 . . . . 0.0 110.069 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.503 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 62.4 mtp180 -120.07 22.43 11.44 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.539 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.25 151.79 33.54 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 179.227 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -107.65 60.19 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.013 -1.054 . . . . 0.0 109.175 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.7 43.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.485 -0.759 . . . . 0.0 109.245 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.2 133.17 50.31 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.3 t -97.45 120.27 37.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.11 -0.993 . . . . 0.0 110.532 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -115.48 122.42 45.7 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 42.7 t -129.03 85.45 60.0 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.351 -0.843 . . . . 0.0 109.283 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.24 64.15 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.71 2.273 . . . . 0.0 111.916 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.5 t90 -70.04 131.35 89.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.595 -0.691 . . . . 0.0 109.234 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' B' ' 72' ' ' TRP . 73.8 Cg_exo -38.31 148.14 0.1 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 121.46 1.44 . . . . 0.0 111.307 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.2 t-20 -124.88 -56.43 1.57 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.418 -0.801 . . . . 0.0 109.018 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.04 125.38 33.39 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.7 t -81.69 108.5 15.29 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.796 -1.161 . . . . 0.0 107.936 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -81.6 135.92 35.56 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.5 0.667 . . . . 0.0 109.558 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' B' ' 78' ' ' THR . 15.3 t -91.8 113.03 57.55 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -93.84 -46.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.607 1.538 . . . . 0.0 114.033 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -121.21 -45.76 2.33 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.9 p90 -60.02 -55.82 29.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.368 -1.457 . . . . 0.0 112.083 -176.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.7 t-20 -78.59 -39.66 36.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.18 -1.575 . . . . 0.0 109.676 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -60.01 -47.55 85.37 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.0 109.022 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.134 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.3 p -68.57 -39.94 80.79 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.04 -1.037 . . . . 0.0 109.26 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -61.49 -40.04 93.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.088 -1.008 . . . . 0.0 109.149 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.933 -1.104 . . . . 0.0 108.103 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.17 96.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.486 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.8 t90 -60.0 -49.93 75.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.45 -0.781 . . . . 0.0 109.289 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.18 -40.03 95.25 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.249 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.32 -41.46 98.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.08 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -60.01 -42.82 95.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.614 -1.304 . . . . 0.0 109.242 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.16 -42.24 89.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.226 -0.921 . . . . 0.0 108.792 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.35 -40.19 93.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 0.0 110.747 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -68.94 -40.07 79.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.703 -1.248 . . . . 0.0 109.408 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.16 -40.01 78.43 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.108 -0.995 . . . . 0.0 108.507 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.78 -46.77 89.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.782 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -40.98 92.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.958 -1.089 . . . . 0.0 109.703 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.562 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 51.6 t-20 -66.16 -41.09 90.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.55 -40.18 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.023 -1.048 . . . . 0.0 109.378 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.626 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.76 80.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.0 109.837 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.65 -40.45 96.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.086 -1.009 . . . . 0.0 109.479 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.41 -44.99 96.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.076 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -48.36 82.01 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.185 -0.947 . . . . 0.0 108.922 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.17 -40.64 96.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.418 -0.801 . . . . 0.0 109.703 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.27 97.55 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.274 -0.891 . . . . 0.0 109.236 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.0 -49.71 76.61 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.1 -1.0 . . . . 0.0 109.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.96 -49.99 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.434 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.92 -40.66 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -59.94 -50.04 75.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.245 -0.909 . . . . 0.0 109.516 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.38 -42.28 95.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.185 -0.947 . . . . 0.0 109.367 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.73 -42.18 96.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.34 -0.85 . . . . 0.0 109.79 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -62.95 -42.29 99.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.076 -1.015 . . . . 0.0 108.973 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.8 -40.01 83.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.29 -0.881 . . . . 0.0 108.873 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.94 -48.76 80.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.48 -0.762 . . . . 0.0 109.311 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.42 -40.05 89.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.885 . . . . 0.0 109.518 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.12 -41.81 93.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 109.738 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.4 mt-30 -60.21 -41.43 93.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 0.0 109.829 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -60.1 -39.71 87.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.94 -46.95 86.75 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -126.22 61.84 1.28 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.01 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.33 0.585 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.59 145.35 47.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.0 109.777 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -88.93 61.52 5.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.878 . . . . 0.0 109.145 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.99 -40.06 96.61 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -59.95 -45.06 93.87 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.315 -0.866 . . . . 0.0 109.229 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.54 -41.31 94.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.214 -0.928 . . . . 0.0 109.192 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.35 -39.93 88.93 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.53 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.15 88.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.175 -0.953 . . . . 0.0 108.945 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.56 -44.96 56.29 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -1.107 . . . . 0.0 109.513 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.13 -44.45 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.031 -1.043 . . . . 0.0 108.827 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.79 -39.97 93.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 109.541 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.34 -41.88 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 109.244 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -61.14 -41.56 96.96 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -43.59 94.97 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.203 -0.935 . . . . 0.0 109.257 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.12 -40.06 94.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.377 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.92 -42.08 95.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.081 -1.012 . . . . 0.0 109.013 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.23 -43.06 96.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.145 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.0 -48.92 79.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.168 -0.958 . . . . 0.0 109.878 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.05 -40.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.975 -1.078 . . . . 0.0 109.328 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -44.71 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.31 -0.868 . . . . 0.0 108.911 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.81 -40.93 96.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.512 -0.743 . . . . 0.0 109.171 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.587 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 44.5 mtt-85 -61.56 -39.99 93.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.864 . . . . 0.0 109.795 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.07 -40.06 88.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 109.155 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.96 -45.02 94.01 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.154 -0.967 . . . . 0.0 109.483 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.52 -40.24 89.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.931 -1.105 . . . . 0.0 109.401 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.61 -40.12 95.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.265 -0.897 . . . . 0.0 108.968 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.23 -39.97 88.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.48 -0.763 . . . . 0.0 109.243 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -59.97 -40.88 90.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.391 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.542 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.7 mt -62.9 -40.08 96.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -64.81 -40.06 94.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 109.481 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.13 -40.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.89 . . . . 0.0 109.256 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -60.0 -41.75 92.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.533 -0.73 . . . . 0.0 109.522 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -46.54 93.98 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.21 -50.0 75.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.045 -1.268 . . . . 0.0 109.894 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -61.64 -39.98 93.25 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.0 109.403 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.338 -0.851 . . . . 0.0 109.377 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.812 -1.18 . . . . 0.0 108.206 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.259 -0.901 . . . . 0.0 109.632 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.427 ' O ' ' OG1' ' C' ' 43' ' ' THR . 47.7 p -59.96 -40.21 88.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.843 -1.161 . . . . 0.0 108.957 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.541 HH22 ' CG ' ' A' ' 82' ' ' ASN . 50.0 mtt-85 -64.07 -40.0 95.31 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.8 -41.48 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.532 -0.73 . . . . 0.0 109.412 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' C' ' 40' ' ' THR . 54.5 p -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.998 -1.064 . . . . 0.0 109.636 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.95 78.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.438 -1.414 . . . . 0.0 108.522 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.417 HG22 HD11 ' C' ' 45' ' ' ILE . 96.8 mt -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.597 -0.689 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.757 -1.214 . . . . 0.0 108.058 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.04 -46.32 89.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.385 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -65.44 -40.02 92.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.0 109.689 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.02 -39.75 86.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.01 -39.77 86.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.848 -1.158 . . . . 0.0 107.948 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.128 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.77 -40.06 86.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.807 -1.183 . . . . 0.0 109.024 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' C' ' 72' ' ' TRP . . . -58.93 -36.97 75.65 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.966 -1.084 . . . . 0.0 108.524 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.02 -39.95 87.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.201 -0.937 . . . . 0.0 108.53 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -73.43 109.49 6.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.048 . . . . 0.0 108.598 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.2 m120 -133.64 -62.71 0.77 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.79 111.42 3.03 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.514 ' C ' ' H ' ' C' ' 60' ' ' ALA . 44.0 m95 -131.54 150.1 52.27 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.448 -0.782 . . . . 0.0 110.205 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.01 7.17 0.7 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -77.61 24.03 0.22 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.267 -1.137 . . . . 0.0 109.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.34 109.83 2.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.124 -0.985 . . . . 0.0 110.281 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.04 13.11 29.64 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.243 -0.91 . . . . 0.0 110.014 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 62.7 mtp180 -120.02 22.33 11.5 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.572 ' N ' HE21 ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.21 151.82 33.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -107.54 60.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.107 -0.995 . . . . 0.0 109.27 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 158.09 43.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.41 133.05 50.0 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.3 t -97.5 120.13 37.31 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -115.53 122.15 44.82 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.414 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 42.3 t -128.72 85.34 60.52 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.367 -0.833 . . . . 0.0 109.304 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.19 64.2 5.13 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.759 2.306 . . . . 0.0 111.864 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' C' ' 73' ' ' PRO . 17.2 t90 -70.07 131.51 88.9 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.424 ' C ' ' O ' ' C' ' 72' ' ' TRP . 72.9 Cg_exo -38.35 148.25 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.236 0 C-N-CA 121.445 1.43 . . . . 0.0 111.233 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.2 t-20 -124.97 -56.84 1.55 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.0 108.991 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.96 125.02 33.06 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -81.37 108.44 14.98 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.052 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.6 mt -81.43 135.92 35.66 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.615 0.721 . . . . 0.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' C' ' 78' ' ' THR . 15.4 t -91.82 112.96 57.27 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.82 -46.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.615 1.543 . . . . 0.0 113.985 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -121.25 -45.84 2.32 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.674 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.6 p90 -60.01 -55.74 30.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.281 -1.512 . . . . 0.0 112.097 -176.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.674 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 7.5 t-20 -78.64 -39.66 36.4 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.072 -1.642 . . . . 0.0 109.678 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.98 -47.57 85.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.132 -0.98 . . . . 0.0 109.159 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -43.76 95.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 109.119 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 76.2 p -68.41 -39.95 81.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.146 -0.971 . . . . 0.0 109.17 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -61.58 -39.98 93.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.13 -0.981 . . . . 0.0 109.166 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -42.33 94.07 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.907 -1.121 . . . . 0.0 108.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.1 96.14 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.518 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.5 t90 -59.94 -49.95 75.67 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.24 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.55 -40.03 94.84 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.183 -0.948 . . . . 0.0 109.214 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.24 -41.44 98.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.145 -0.972 . . . . 0.0 110.17 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -60.07 -42.4 94.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.653 -1.279 . . . . 0.0 109.235 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.55 -42.61 92.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.184 -0.947 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.79 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.53 -39.96 80.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.833 -1.167 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.28 -39.98 78.03 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.529 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -46.2 91.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.353 -0.842 . . . . 0.0 109.784 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.23 -40.8 90.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.65 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.602 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 51.5 t-20 -66.33 -41.06 90.16 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.795 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.54 -40.01 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.425 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.1 p -62.71 -39.97 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.04 . . . . 0.0 109.631 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.96 79.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.65 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.096 -1.002 . . . . 0.0 109.588 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.68 -45.28 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.967 -1.083 . . . . 0.0 108.954 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.05 83.32 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.195 -0.941 . . . . 0.0 108.933 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.567 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.45 97.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 109.226 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.09 -49.47 77.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.189 -0.944 . . . . 0.0 109.215 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.408 HD11 HG22 ' C' ' 109' ' ' ILE . 97.0 mt -60.07 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.9 -40.65 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 0.0 109.588 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.03 -50.0 75.44 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.165 -0.959 . . . . 0.0 109.419 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.33 -42.54 95.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.118 -0.989 . . . . 0.0 109.292 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.46 -42.42 96.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 0.0 109.777 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -62.52 -42.52 99.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.118 -0.989 . . . . 0.0 109.111 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.82 -39.95 83.86 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.437 -0.789 . . . . 0.0 109.365 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.31 -39.99 88.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.311 -0.868 . . . . 0.0 109.639 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.17 -41.83 93.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.5 mt-30 -59.99 -41.68 92.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.89 . . . . 0.0 109.973 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.0 -38.88 83.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.211 -0.93 . . . . 0.0 109.603 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.78 -46.98 87.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.23 62.03 1.27 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.107 -0.996 . . . . 0.0 109.025 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.411 0.625 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.522 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 77.7 mt-30 -68.5 143.32 55.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.379 -0.825 . . . . 0.0 109.549 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -91.2 59.87 4.08 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -0.865 . . . . 0.0 109.577 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 51.0 mtt-85 -64.95 -40.04 94.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.568 -0.708 . . . . 0.0 109.345 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.8 t -60.34 -41.37 93.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.266 -0.896 . . . . 0.0 109.32 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' A' ' 5' ' ' THR . 58.9 tp -60.1 -43.68 95.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.22 -0.925 . . . . 0.0 108.561 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.62 -40.05 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.6 -0.688 . . . . 0.0 109.5 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.7 92.49 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.03 89.61 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.849 -1.701 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.22 -46.82 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -1.093 . . . . 0.0 109.058 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.05 -46.48 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.59 -38.32 87.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.346 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -59.93 -41.8 92.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 109.224 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -63.02 -40.18 96.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.992 -1.068 . . . . 0.0 109.11 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.46 -40.27 90.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.347 -0.846 . . . . 0.0 109.833 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -66.72 -40.0 88.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.814 -1.179 . . . . 0.0 109.515 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.27 -41.35 99.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD2' ' NE2' ' A' ' 108' ' ' GLN . 50.9 tp -60.28 -43.1 96.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.387 -0.821 . . . . 0.0 109.547 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.0 -45.32 93.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -40.19 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 110.015 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.17 -42.03 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 108.746 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.01 -40.75 94.74 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.34 0.59 . . . . 0.0 109.596 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.683 ' NH1' HD21 ' B' ' 99' ' ' ASN . 31.3 mmt180 -60.44 -40.32 90.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.509 -0.745 . . . . 0.0 109.264 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.92 -40.05 87.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.319 -0.863 . . . . 0.0 109.033 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.85 -48.96 79.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.779 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.72 -40.5 96.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.602 -1.311 . . . . 0.0 109.274 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.06 -41.4 96.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.209 -0.932 . . . . 0.0 109.313 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.22 -41.01 92.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.479 -0.763 . . . . 0.0 109.712 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' A' ' 29' ' ' ARG . 42.6 mtt-85 -60.23 -39.87 88.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.953 -1.092 . . . . 0.0 109.249 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.494 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.0 mt -61.49 -40.04 93.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -65.64 -40.05 92.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.05 -1.031 . . . . 0.0 109.865 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.77 -40.13 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.145 -0.972 . . . . 0.0 108.926 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -60.05 -42.82 95.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.477 -0.764 . . . . 0.0 110.354 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.83 93.47 Favored Glycine 0 N--CA 1.486 2.024 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.105 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -60.26 -49.99 75.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.075 -1.25 . . . . 0.0 109.913 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -60.05 -39.87 87.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.023 -1.048 . . . . 0.0 109.698 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.62 -40.09 86.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.438 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.0 88.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.949 -1.094 . . . . 0.0 108.735 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.395 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 43' ' ' THR . 69.8 p -59.92 -40.83 90.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.925 -1.11 . . . . 0.0 108.708 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.688 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.9 mtt-85 -67.35 -39.76 85.76 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.05 -41.05 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.016 -1.053 . . . . 0.0 108.741 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 40' ' ' THR . 70.9 p -59.94 -41.01 90.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.815 -1.178 . . . . 0.0 109.196 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.1 96.98 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.936 -1.102 . . . . 0.0 108.454 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 45' ' ' ILE . 81.8 mt -61.07 -40.2 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.676 -0.64 . . . . 0.0 110.133 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -60.2 -40.31 89.6 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 109.026 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.55 -42.01 98.21 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.301 -0.874 . . . . 0.0 110.808 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CE1' ' O ' ' B' ' 74' ' ' ASN . 63.3 m-85 -68.08 -38.43 82.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.057 -1.027 . . . . 0.0 109.579 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.94 -39.79 86.72 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.737 -1.227 . . . . 0.0 108.42 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.57 -38.51 81.33 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.382 -1.449 . . . . 0.0 108.159 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -63.09 -26.93 69.06 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.64 ' NE2' HD22 ' A' ' 74' ' ' ASN . 6.5 tt0 -59.92 -43.26 95.01 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.17 79.86 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.501 -0.75 . . . . 0.0 109.908 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -80.08 112.44 17.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.946 -1.096 . . . . 0.0 109.164 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.15 -72.12 0.51 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.364 -0.835 . . . . 0.0 109.214 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.2 94.3 2.29 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' A' ' 60' ' ' ALA . 52.2 m95 -112.67 145.31 40.67 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.576 -0.702 . . . . 0.0 110.927 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.29 0.6 4.69 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -73.89 24.84 0.07 Allowed 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.421 -1.046 . . . . 0.0 108.975 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.543 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.72 112.45 3.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.096 -1.002 . . . . 0.0 109.651 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -114.27 12.03 17.56 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.495 -0.753 . . . . 0.0 110.504 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' C' ' 62' ' ' PHE . 10.7 ptp180 -121.06 21.75 11.2 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -144.18 151.05 38.97 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.1 58.66 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.035 -1.04 . . . . 0.0 108.55 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.91 158.1 42.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.47 -0.769 . . . . 0.0 109.604 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -127.15 133.65 50.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 t -98.64 119.71 37.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.136 -0.978 . . . . 0.0 111.111 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -116.64 119.28 35.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 84.3 t -122.45 93.07 48.75 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.436 -0.79 . . . . 0.0 109.15 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -87.01 62.71 4.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.765 2.31 . . . . 0.0 112.325 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 33.2 t90 -70.1 130.66 89.48 Favored Pre-proline 0 N--CA 1.493 1.706 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 97.5 Cg_exo -38.32 147.63 0.11 Allowed 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.418 1.412 . . . . 0.0 112.066 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.64 HD22 ' NE2' ' A' ' 52' ' ' GLN . 65.4 t30 -130.7 -58.76 1.03 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.73 123.78 32.26 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.72 109.53 16.96 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.13 136.44 35.9 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.444 0.64 . . . . 0.0 109.394 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 78' ' ' THR . 12.4 t -93.16 112.96 58.58 Favored Pre-proline 0 N--CA 1.494 1.732 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -94.61 -47.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.976 0 C-N-CA 121.647 1.565 . . . . 0.0 114.541 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.06 -44.39 2.41 Favored 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.97 -49.93 75.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.28 -1.513 . . . . 0.0 112.605 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.664 ' ND2' HH21 ' C' ' 41' ' ' ARG . 61.1 t30 -71.02 -41.09 71.33 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.009 -1.682 . . . . 0.0 110.595 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -59.94 -49.96 75.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.0 . . . . 0.0 110.156 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.0 -44.91 94.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.955 -1.091 . . . . 0.0 109.155 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -70.03 -40.07 75.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.132 -0.98 . . . . 0.0 109.911 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 42.8 t-105 -67.45 -39.97 85.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.028 -1.045 . . . . 0.0 109.301 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.01 -40.73 90.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.678 -1.264 . . . . 0.0 108.571 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.25 -41.08 96.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.04 -1.038 . . . . 0.0 108.505 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.522 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.6 t90 -60.08 -50.11 74.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.496 -0.752 . . . . 0.0 109.197 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.33 -41.22 98.37 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.825 . . . . 0.0 109.373 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -63.28 -40.29 96.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.487 -0.758 . . . . 0.0 110.192 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.36 -40.86 92.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.82 -1.175 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.26 -40.98 91.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -60.64 -44.68 96.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -66.89 -40.28 87.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.93 -1.106 . . . . 0.0 109.48 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.17 -40.35 86.59 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.27 -49.28 78.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 108.941 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.06 -42.22 98.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.466 -0.771 . . . . 0.0 109.661 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.677 HD21 ' NH1' ' C' ' 23' ' ' ARG . 96.6 m-20 -62.33 -40.12 95.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.034 -1.041 . . . . 0.0 109.391 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.23 -41.38 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.114 -0.991 . . . . 0.0 109.272 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -62.49 -41.28 98.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.03 -1.044 . . . . 0.0 109.105 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.59 81.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.403 -0.81 . . . . 0.0 109.005 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -47.13 87.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.43 -0.794 . . . . 0.0 109.761 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.99 -41.96 93.19 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.356 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.12 -48.86 79.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 109.181 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 -41.87 96.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.518 -0.739 . . . . 0.0 109.591 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.17 93.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.005 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.469 ' NE2' ' CD2' ' A' ' 18' ' ' LEU . 48.4 mm-40 -59.97 -46.9 87.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.053 -1.029 . . . . 0.0 109.401 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.17 -49.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.189 -0.944 . . . . 0.0 109.571 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.96 -40.32 83.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.86 . . . . 0.0 109.976 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -60.03 -49.16 78.76 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.78 -40.53 97.59 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.12 -0.987 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.11 -40.06 96.53 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.014 -1.054 . . . . 0.0 109.648 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -67.57 -40.1 84.88 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.977 -1.077 . . . . 0.0 109.385 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.81 -39.88 76.28 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.089 -1.007 . . . . 0.0 108.645 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.06 -48.2 82.69 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.29 -40.25 93.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.187 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -41.64 92.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.241 -0.912 . . . . 0.0 109.603 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.0 mt-30 -61.0 -42.46 98.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -60.29 -40.03 89.03 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.0 109.367 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 99.5 mt -59.45 -49.11 79.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -116.48 58.86 0.75 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.655 -0.653 . . . . 0.0 109.292 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.128 . . . . 0.0 109.007 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.323 0.582 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.542 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 77.8 mt-30 -68.57 143.22 54.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.526 -0.734 . . . . 0.0 109.606 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -90.88 59.89 4.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.076 -1.015 . . . . 0.0 109.58 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.542 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 49.7 mtt-85 -64.81 -40.09 94.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.627 -0.67 . . . . 0.0 109.335 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.6 t -60.34 -41.61 93.97 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.293 -0.88 . . . . 0.0 109.407 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' B' ' 5' ' ' THR . 58.9 tp -59.98 -43.94 94.82 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.57 -40.19 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.45 -0.781 . . . . 0.0 109.457 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.46 90.43 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.932 -1.105 . . . . 0.0 108.308 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.21 -44.68 90.44 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 10' ' ' ILE . 86.6 mt -60.36 -46.52 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -1.033 . . . . 0.0 109.107 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.05 -46.68 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.012 -1.055 . . . . 0.0 108.766 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.83 -38.23 87.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.609 -0.682 . . . . 0.0 109.207 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -59.99 -41.85 92.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.157 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.03 -40.03 96.52 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.899 -1.126 . . . . 0.0 109.042 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.32 -40.25 89.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 109.836 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -66.85 -40.07 87.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.279 -0.888 . . . . 0.0 109.42 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.36 -41.34 98.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.303 -0.873 . . . . 0.0 109.328 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.459 ' CD2' ' NE2' ' B' ' 108' ' ' GLN . 49.6 tp -60.12 -43.35 95.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 109.804 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.87 -45.32 92.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.893 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.95 -40.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.992 . . . . 0.0 109.88 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.19 -41.65 87.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.246 -0.909 . . . . 0.0 108.926 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 61.0 tttp -61.02 -40.96 95.55 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.379 0.609 . . . . 0.0 109.508 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.645 ' NH1' HD21 ' C' ' 99' ' ' ASN . 31.3 mmt180 -60.39 -40.06 89.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.356 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.92 -40.09 87.68 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.973 . . . . 0.0 109.137 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.97 -48.61 80.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.759 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 4.9 mp0 -63.9 -40.17 95.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.688 -1.257 . . . . 0.0 109.277 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.25 -41.34 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.373 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.32 -40.75 91.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.465 -0.772 . . . . 0.0 109.919 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' B' ' 29' ' ' ARG . 42.9 mtt-85 -59.99 -40.21 88.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.952 . . . . 0.0 109.439 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.466 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.819 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.9 p -65.5 -39.99 92.53 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.095 -1.003 . . . . 0.0 109.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.95 -40.09 84.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.329 -0.857 . . . . 0.0 108.942 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -60.09 -42.77 95.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.507 -0.746 . . . . 0.0 110.312 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.78 93.54 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.296 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -60.63 -49.93 75.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.947 -1.325 . . . . 0.0 109.751 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -60.06 -39.6 86.57 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.028 -1.045 . . . . 0.0 109.721 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.02 -40.04 87.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.1 -40.14 88.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.051 -1.031 . . . . 0.0 108.731 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 0.0 109.64 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.411 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.0 p -60.01 -40.38 89.06 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.866 -1.147 . . . . 0.0 108.503 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.692 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -67.28 -39.84 86.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.261 -0.899 . . . . 0.0 108.86 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.06 -40.83 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.264 -0.897 . . . . 0.0 108.86 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 40' ' ' THR . 69.6 p -60.09 -40.95 91.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.827 -1.17 . . . . 0.0 109.139 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.55 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.22 -40.06 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -60.31 -39.95 88.82 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.251 -0.906 . . . . 0.0 109.108 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' C' ' 74' ' ' ASN . 63.9 m-85 -67.27 -38.85 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.037 -1.04 . . . . 0.0 109.63 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.91 -39.1 84.24 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.677 -1.264 . . . . 0.0 108.557 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.85 -38.47 82.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.504 -1.373 . . . . 0.0 108.199 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.57 -26.92 68.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.648 ' NE2' HD22 ' B' ' 74' ' ' ASN . 6.5 tt0 -59.94 -43.74 94.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.89 78.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.907 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -79.95 112.85 17.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.591 -1.318 . . . . 0.0 109.166 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.6 m120 -133.24 -72.28 0.51 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.328 -0.857 . . . . 0.0 109.231 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.15 93.91 2.24 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.427 ' C ' ' H ' ' B' ' 60' ' ' ALA . 50.9 m95 -112.39 145.51 39.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.501 -0.75 . . . . 0.0 110.86 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.8 1.16 4.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -74.32 25.14 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.304 -1.115 . . . . 0.0 108.957 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.539 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.31 112.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.234 -0.916 . . . . 0.0 109.824 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -114.25 12.1 17.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.619 -0.675 . . . . 0.0 110.432 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -120.64 21.13 11.63 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -143.43 151.48 40.41 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -107.06 58.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 120.97 -1.081 . . . . 0.0 108.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.72 158.08 42.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.559 -0.713 . . . . 0.0 109.622 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -126.84 133.62 50.71 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -98.75 119.67 37.89 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.169 -0.957 . . . . 0.0 111.104 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -116.52 119.14 34.64 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.415 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 89.7 t -121.97 93.38 48.63 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.492 -0.755 . . . . 0.0 109.086 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -87.08 62.24 4.14 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.596 2.197 . . . . 0.0 112.605 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 30.4 t90 -69.84 130.15 90.4 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 99.9 Cg_exo -38.18 147.66 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.236 0 C-N-CA 121.426 1.417 . . . . 0.0 112.114 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.648 HD22 ' NE2' ' B' ' 52' ' ' GLN . 65.4 t30 -130.52 -59.5 1.02 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.38 124.03 32.28 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.86 109.71 17.22 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.74 -1.225 . . . . 0.0 107.723 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.05 136.34 35.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' B' ' 78' ' ' THR . 12.4 t -93.08 113.09 58.93 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.554 -0.716 . . . . 0.0 109.078 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -94.41 -48.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.596 1.531 . . . . 0.0 114.468 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.17 -44.36 2.39 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.5 p90 -59.92 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.119 -1.613 . . . . 0.0 112.451 -175.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.688 ' ND2' HH21 ' A' ' 41' ' ' ARG . 61.9 t30 -70.92 -41.04 71.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.272 -1.518 . . . . 0.0 110.654 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.03 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.197 -0.939 . . . . 0.0 110.083 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.766 -1.209 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 81.5 p -70.03 -39.73 75.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 109.779 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.412 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 43.4 t-105 -67.79 -39.95 84.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.913 -1.117 . . . . 0.0 109.417 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -40.16 88.95 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.642 -1.286 . . . . 0.0 108.648 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.81 -41.19 97.46 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.098 -1.001 . . . . 0.0 108.471 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.494 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.5 t90 -60.17 -49.97 75.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.441 -0.787 . . . . 0.0 109.073 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.95 -41.74 98.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.488 -0.758 . . . . 0.0 109.274 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.75 -40.32 96.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 110.201 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.7 -40.53 92.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.82 -1.175 . . . . 0.0 109.105 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.73 -40.4 88.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.19 -43.92 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.389 -0.819 . . . . 0.0 110.718 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.732 -1.23 . . . . 0.0 109.676 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.82 -40.52 83.81 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.169 -0.957 . . . . 0.0 108.827 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -49.66 76.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.267 -0.896 . . . . 0.0 108.93 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.52 -42.47 96.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.481 -0.762 . . . . 0.0 109.784 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.683 HD21 ' NH1' ' A' ' 23' ' ' ARG . 96.6 m-20 -61.88 -40.23 94.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.185 -0.947 . . . . 0.0 109.572 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.14 -41.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.243 -0.91 . . . . 0.0 109.277 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -62.06 -41.68 98.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.194 -0.941 . . . . 0.0 109.16 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.09 83.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.863 . . . . 0.0 109.292 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.14 -47.52 85.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.494 -0.754 . . . . 0.0 109.653 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.218 -0.926 . . . . 0.0 109.261 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.2 -49.48 77.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.255 -0.903 . . . . 0.0 109.13 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.12 -41.46 92.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.573 -0.704 . . . . 0.0 109.664 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.4 -45.07 94.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.358 -0.839 . . . . 0.0 109.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.459 ' NE2' ' CD2' ' B' ' 18' ' ' LEU . 47.0 mm-40 -60.03 -46.92 87.9 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.03 -1.044 . . . . 0.0 109.374 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.14 -49.8 82.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.29 -0.882 . . . . 0.0 109.59 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.23 -40.04 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 109.935 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.25 -49.32 78.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.883 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.91 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -62.69 -40.0 95.75 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.0 109.798 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -67.68 -40.2 84.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.922 -1.111 . . . . 0.0 109.502 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.67 -39.8 76.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 108.661 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.23 -48.36 82.06 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -40.14 92.75 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.12 -42.24 94.35 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.41 -0.806 . . . . 0.0 109.804 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.3 mt-30 -60.68 -42.48 97.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.094 -1.004 . . . . 0.0 109.732 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.23 -39.89 88.28 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.233 -0.917 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.8 mt -59.57 -49.38 77.98 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.38 58.6 0.75 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.697 -0.627 . . . . 0.0 109.495 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.288 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.447 0.642 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.534 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 78.3 mt-30 -69.16 143.54 54.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.285 -0.884 . . . . 0.0 109.543 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -91.07 59.85 4.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.534 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 50.1 mtt-85 -65.04 -40.06 94.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.392 -0.818 . . . . 0.0 109.398 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.8 t -60.1 -41.25 92.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' C' ' 5' ' ' THR . 59.2 tp -59.98 -43.99 94.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.227 -0.921 . . . . 0.0 108.559 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.31 -39.87 88.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.591 -0.693 . . . . 0.0 109.625 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.63 92.36 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.43 -44.71 89.74 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.25 -46.93 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.535 -0.979 . . . . 0.0 109.217 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.88 -47.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.78 -38.59 85.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.463 -0.773 . . . . 0.0 109.359 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -59.84 -41.78 92.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.306 -0.871 . . . . 0.0 109.386 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.22 -40.03 96.31 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.921 -1.112 . . . . 0.0 109.11 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.47 -40.31 90.75 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.247 -0.908 . . . . 0.0 109.7 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -66.53 -40.06 88.94 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.0 109.605 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.4 -41.58 98.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.47 ' CD2' ' NE2' ' C' ' 108' ' ' GLN . 50.9 tp -60.24 -43.63 95.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.407 -0.808 . . . . 0.0 109.398 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.86 -44.5 94.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 109.939 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.58 -40.28 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.12 -41.88 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.201 -0.937 . . . . 0.0 108.82 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.15 -40.79 95.17 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.362 0.601 . . . . 0.0 109.558 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.677 ' NH1' HD21 ' A' ' 99' ' ' ASN . 31.2 mmt180 -60.08 -40.11 88.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.392 -0.818 . . . . 0.0 109.165 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.1 -39.88 87.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.353 -0.842 . . . . 0.0 109.147 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.11 -48.67 80.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.408 -0.807 . . . . 0.0 109.711 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -64.01 -40.24 95.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.609 -1.307 . . . . 0.0 109.419 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -61.24 -41.36 96.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.37 -0.831 . . . . 0.0 109.186 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.47 -40.83 92.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.537 -0.727 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.42 ' HG2' HH11 ' C' ' 29' ' ' ARG . 42.0 mtt-85 -60.1 -39.91 87.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.051 . . . . 0.0 109.404 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.522 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.3 mt -61.47 -40.11 93.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.945 . . . . 0.0 109.652 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -65.63 -40.39 92.5 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 109.723 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.56 -40.17 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.201 -0.937 . . . . 0.0 109.062 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -60.11 -42.8 95.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.76 . . . . 0.0 110.263 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -47.32 91.53 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.29 -50.03 75.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.309 . . . . 0.0 109.838 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -60.17 -39.26 85.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 109.676 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.025 . . . . 0.0 109.284 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.14 -40.08 88.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.973 -1.079 . . . . 0.0 108.874 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.12 -40.05 88.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.119 -0.988 . . . . 0.0 109.378 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' C' ' 43' ' ' THR . 70.3 p -60.19 -40.23 89.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.767 -1.208 . . . . 0.0 108.649 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.664 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.6 mtt-85 -67.52 -39.79 85.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 108.673 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -41.05 84.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.275 -0.89 . . . . 0.0 108.669 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' C' ' 40' ' ' THR . 71.8 p -60.05 -40.75 90.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.814 -1.179 . . . . 0.0 109.261 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.07 96.23 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.94 -40.28 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.726 -0.609 . . . . 0.0 110.258 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.08 -39.93 87.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.114 -0.991 . . . . 0.0 108.999 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.21 -42.49 99.34 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.902 . . . . 0.0 110.394 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 74' ' ' ASN . 63.6 m-85 -67.46 -38.48 84.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.002 -1.061 . . . . 0.0 109.665 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.1 -39.45 86.21 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.77 -1.206 . . . . 0.0 108.358 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.98 -38.48 82.66 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.428 -1.42 . . . . 0.0 107.968 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -63.41 -26.6 68.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.636 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 6.4 tt0 -59.95 -43.4 95.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.98 79.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.86 -40.08 87.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.461 -0.775 . . . . 0.0 109.919 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -80.15 112.7 17.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.814 -1.179 . . . . 0.0 109.114 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.5 m120 -133.23 -72.25 0.51 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.866 . . . . 0.0 109.111 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 94.22 2.28 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.436 ' C ' ' H ' ' C' ' 60' ' ' ALA . 52.3 m95 -112.51 144.86 41.27 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.39 0.87 5.07 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -73.69 24.92 0.07 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.433 -1.039 . . . . 0.0 108.97 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.05 112.08 3.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.917 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.415 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 34.4 m-85 -113.95 11.75 17.89 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.73 -0.606 . . . . 0.0 110.592 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.402 ' HB3' HH22 ' A' ' 63' ' ' ARG . 10.7 ptp180 -120.67 21.6 11.46 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -143.9 151.19 39.5 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -107.2 58.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.063 -1.023 . . . . 0.0 108.505 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.76 157.92 42.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.603 -0.686 . . . . 0.0 109.847 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -127.2 133.37 50.29 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 5.2 t -98.36 119.85 37.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.231 -0.918 . . . . 0.0 111.125 -177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -116.79 119.04 34.17 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 85.1 t -122.03 93.01 48.8 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.9 62.62 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.252 0 C-N-CA 122.41 2.073 . . . . 0.0 112.452 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.7 t90 -69.97 130.47 89.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 108.771 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' C' ' 72' ' ' TRP . 95.1 Cg_exo -38.32 147.59 0.11 Allowed 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 121.35 1.367 . . . . 0.0 112.112 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.636 ' ND2' ' NE2' ' C' ' 52' ' ' GLN . 65.3 t30 -130.49 -59.26 1.03 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.49 123.86 32.17 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.64 109.61 16.97 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 118.853 -1.139 . . . . 0.0 107.947 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -81.02 136.12 35.94 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.573 0.702 . . . . 0.0 109.424 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' C' ' 78' ' ' THR . 12.7 t -92.77 113.14 58.78 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 109.214 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -94.2 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.02 0 C-N-CA 121.555 1.503 . . . . 0.0 114.548 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.23 -44.51 2.38 Favored 'General case' 0 N--CA 1.507 2.413 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.5 p90 -59.86 -50.12 75.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.117 -1.614 . . . . 0.0 112.472 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.692 ' ND2' HH21 ' B' ' 41' ' ' ARG . 62.1 t30 -71.03 -40.46 71.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.041 -1.662 . . . . 0.0 110.681 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.043 -1.036 . . . . 0.0 110.262 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.997 -1.064 . . . . 0.0 109.009 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 81.5 p -69.99 -39.97 75.6 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.261 -0.899 . . . . 0.0 110.069 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.426 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 43.6 t-105 -67.45 -39.92 85.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.884 -1.135 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -60.19 -40.05 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.681 -1.262 . . . . 0.0 108.606 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.87 -40.85 96.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 108.443 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.466 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.3 t90 -60.18 -49.88 75.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.36 -0.838 . . . . 0.0 109.1 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.24 -41.97 98.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.393 -0.817 . . . . 0.0 109.229 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.905 . . . . 0.0 110.237 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.09 -41.26 92.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.92 -40.81 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.75 -44.29 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.499 -0.751 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -67.21 -40.04 86.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.812 -1.18 . . . . 0.0 109.604 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.93 -40.13 83.4 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 108.941 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.33 -49.21 78.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.314 -0.866 . . . . 0.0 109.121 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.13 -42.33 98.35 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.358 -0.839 . . . . 0.0 109.528 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.645 HD21 ' NH1' ' B' ' 23' ' ' ARG . 96.7 m-20 -61.96 -40.53 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.73 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.324 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 70.2 p -62.14 -41.79 98.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.48 81.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.332 -0.855 . . . . 0.0 109.171 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.05 -47.34 86.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.496 -0.753 . . . . 0.0 109.529 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.97 -41.96 93.12 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.225 -0.922 . . . . 0.0 109.354 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 -48.78 80.26 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.187 -0.946 . . . . 0.0 109.288 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.56 -41.94 95.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.429 -0.795 . . . . 0.0 109.305 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.94 94.6 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.374 -0.829 . . . . 0.0 109.296 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . 0.47 ' NE2' ' CD2' ' C' ' 18' ' ' LEU . 47.3 mm-40 -60.05 -46.61 88.95 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.129 . . . . 0.0 109.502 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.21 -49.7 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.203 -0.935 . . . . 0.0 109.518 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -68.56 -40.23 80.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.254 -0.903 . . . . 0.0 109.79 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -60.08 -49.19 78.61 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.155 -0.966 . . . . 0.0 109.326 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.27 -41.08 98.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.911 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -62.87 -39.99 96.12 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.552 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.66 -40.24 84.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.887 -1.133 . . . . 0.0 109.502 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.8 -40.06 76.2 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 108.617 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -59.88 -48.61 80.99 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -40.33 92.24 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.221 -0.925 . . . . 0.0 109.434 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -41.71 92.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.397 -0.814 . . . . 0.0 109.87 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -61.18 -42.35 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.063 -1.023 . . . . 0.0 109.844 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.251 -0.906 . . . . 0.0 109.463 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.82 -48.96 79.59 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.56 58.99 0.75 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.5 p . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 93.1 mt-30 -70.37 144.75 51.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 109.037 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -89.65 60.67 5.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.069 -1.019 . . . . 0.0 109.194 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -64.01 -39.99 95.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.43 -0.794 . . . . 0.0 109.284 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t -59.94 -42.78 94.75 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.497 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.51 -40.87 89.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.056 -1.028 . . . . 0.0 109.28 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.18 -39.76 87.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.475 -0.765 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.0 86.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.124 -0.985 . . . . 0.0 108.644 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.07 43.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 10' ' ' ILE . 97.3 mt -60.0 -47.73 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.206 -1.173 . . . . 0.0 109.765 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.03 -41.99 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 108.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.73 -40.3 94.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.602 -0.686 . . . . 0.0 109.589 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.05 -41.62 92.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.23 -40.99 92.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.124 -0.985 . . . . 0.0 108.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.73 -42.5 97.41 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.447 -0.783 . . . . 0.0 109.239 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -64.48 -41.19 96.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.279 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.21 -43.58 98.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 109.04 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.05 -43.74 95.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.87 . . . . 0.0 109.064 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 58.6 t0 -60.09 -44.97 94.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 109.544 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.09 -39.94 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.233 -0.917 . . . . 0.0 109.372 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -40.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 108.791 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.0 -43.05 95.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.807 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 11.0 mpt_? -60.06 -40.96 91.27 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.96 . . . . 0.0 109.348 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.26 -39.94 88.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.967 -1.083 . . . . 0.0 109.262 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.03 -47.77 84.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 108.974 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.8 -41.99 99.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.329 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.16 -40.56 90.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.416 -0.803 . . . . 0.0 109.658 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.7 -40.42 92.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.134 -0.978 . . . . 0.0 109.917 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.5 mt -62.75 -40.09 96.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.044 -1.035 . . . . 0.0 109.616 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.1 p -63.65 -40.02 95.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.079 -1.013 . . . . 0.0 109.906 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.21 -40.0 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.281 -0.887 . . . . 0.0 109.136 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -59.98 -43.4 95.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.8 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.28 80.34 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 119.645 -1.264 . . . . 0.0 110.233 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -60.05 -49.98 75.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -1.213 . . . . 0.0 109.949 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.744 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.749 HD22 HH21 ' A' ' 41' ' ' ARG . 41.1 t30 -59.92 -41.53 91.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.52 -39.97 89.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.024 -1.048 . . . . 0.0 109.382 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.96 -41.29 91.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.194 -0.941 . . . . 0.0 109.961 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.6 ' HG1' ' N ' ' A' ' 41' ' ' ARG . 32.1 p -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.761 -1.212 . . . . 0.0 108.116 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.749 HH21 HD22 ' A' ' 37' ' ' ASN . 31.9 mtt-85 -63.68 -40.01 95.75 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -40.15 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.453 -0.779 . . . . 0.0 109.303 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 40' ' ' THR . 79.8 p -60.06 -39.92 87.68 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.989 -1.07 . . . . 0.0 109.077 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.98 85.71 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.784 -1.197 . . . . 0.0 109.709 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 45' ' ' ILE . 86.4 mt -62.77 -41.06 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.243 -0.91 . . . . 0.0 111.248 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.57 -39.06 92.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.597 -1.314 . . . . 0.0 108.444 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.03 -45.15 93.75 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.185 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 49.8 m-85 -65.53 -39.41 91.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.0 -1.062 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.88 -38.51 82.4 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.06 -39.9 87.6 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.05 -39.09 84.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.37 -0.831 . . . . 0.0 109.349 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.654 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.8 OUTLIER -59.95 -39.96 87.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.15 . . . . 0.0 109.102 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.755 -1.216 . . . . 0.0 108.161 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -59.93 -39.74 86.52 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.848 . . . . 0.0 108.963 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -69.46 118.48 12.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.044 -1.035 . . . . 0.0 108.756 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 32.6 m120 -133.63 -64.75 0.7 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.287 -0.883 . . . . 0.0 110.33 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -154.61 118.03 4.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -0.96 . . . . 0.0 110.01 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.76 129.57 46.67 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 63.73 21.77 65.51 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.72 23.45 0.16 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.598 -1.53 . . . . 0.0 108.688 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.22 111.24 2.39 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.443 -0.786 . . . . 0.0 109.202 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CD2' ' NE2' ' B' ' 64' ' ' GLN . 34.1 m-85 -121.38 11.59 10.74 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.368 -0.832 . . . . 0.0 110.358 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.74 25.16 2.18 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.449 ' NE2' ' CD2' ' C' ' 62' ' ' PHE . 31.6 mt-30 -143.66 152.62 41.57 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.75 57.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.0 108.622 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.04 158.14 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.513 -0.742 . . . . 0.0 110.019 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.48 133.61 47.37 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.35 112.93 24.69 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.56 -1.337 . . . . 0.0 110.179 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.1 t -112.69 122.0 46.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.501 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 70.0 t -125.44 84.32 60.19 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.581 -0.699 . . . . 0.0 109.582 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.56 63.53 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.498 2.132 . . . . 0.0 110.881 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 25.4 t90 -67.18 133.86 93.51 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.476 -0.765 . . . . 0.0 109.094 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 79.4 Cg_exo -38.8 149.19 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.662 1.575 . . . . 0.0 111.042 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.668 HD22 ' NE2' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -130.3 -60.62 1.0 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.232 -0.917 . . . . 0.0 109.441 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.54 124.59 36.68 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.268 -0.895 . . . . 0.0 108.897 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.41 108.08 14.72 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.88 135.83 36.53 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.766 0.793 . . . . 0.0 110.33 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -90.26 115.21 63.53 Favored Pre-proline 0 N--CA 1.49 1.565 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -92.21 -47.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.691 1.594 . . . . 0.0 113.615 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.12 -44.27 2.29 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.19 93.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.325 -1.485 . . . . 0.0 113.272 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.566 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -76.31 -50.06 15.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.213 -1.555 . . . . 0.0 110.773 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.9 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.058 -1.026 . . . . 0.0 110.223 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.874 -1.141 . . . . 0.0 109.411 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 81' ' ' TRP . 60.7 p -68.89 -40.02 79.42 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.209 -0.932 . . . . 0.0 109.706 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -66.84 -39.91 87.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 109.189 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.0 -41.78 92.82 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.966 -1.084 . . . . 0.0 108.358 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.35 -41.54 97.24 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.951 . . . . 0.0 108.912 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.485 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.3 t90 -59.96 -49.92 75.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.396 -0.815 . . . . 0.0 109.752 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.08 -41.42 96.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.104 -0.998 . . . . 0.0 109.526 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.87 -40.86 96.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.99 -1.069 . . . . 0.0 110.444 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.21 -40.62 90.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.9 -1.125 . . . . 0.0 109.76 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.21 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 108.94 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.9 -47.62 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.432 -0.793 . . . . 0.0 110.201 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -61.69 -40.89 96.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.012 -1.055 . . . . 0.0 109.709 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.41 -40.25 81.33 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.181 -0.949 . . . . 0.0 109.151 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.66 -45.04 95.71 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.219 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.68 -40.46 96.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.26 -0.9 . . . . 0.0 109.446 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.91 -41.76 95.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.248 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.91 -48.03 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.329 -0.857 . . . . 0.0 109.366 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -59.98 -42.64 94.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.05 75.25 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.284 -0.885 . . . . 0.0 109.34 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.41 -44.27 97.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.234 -0.916 . . . . 0.0 109.396 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.8 -42.02 96.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.4 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -50.05 75.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.136 -0.977 . . . . 0.0 109.602 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.73 -42.8 98.04 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.282 -0.886 . . . . 0.0 109.254 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.18 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.387 -0.82 . . . . 0.0 109.754 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.96 -46.27 89.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.01 -49.15 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.235 -0.916 . . . . 0.0 109.303 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.56 -39.98 80.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.196 -0.94 . . . . 0.0 110.233 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.0 -50.06 75.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.099 -1.0 . . . . 0.0 109.993 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.1 -39.92 96.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.64 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -64.22 -40.73 96.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.196 -0.94 . . . . 0.0 109.825 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.82 -44.89 95.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.082 . . . . 0.0 109.432 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.19 -41.18 94.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.226 -0.921 . . . . 0.0 109.016 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.95 -49.39 77.86 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.0 109.683 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.76 -40.03 90.98 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.171 -0.955 . . . . 0.0 109.458 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.84 -41.62 96.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.9 mt-30 -60.05 -41.2 91.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.173 -0.954 . . . . 0.0 109.816 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.19 -40.05 88.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.116 -0.99 . . . . 0.0 108.959 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.94 -48.17 82.8 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -116.75 57.89 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.496 1.836 0 O-C-N 120.996 -1.065 . . . . 0.0 109.059 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 93.0 mt-30 -70.1 144.79 52.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -89.74 60.77 5.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.194 -0.941 . . . . 0.0 109.078 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.06 -40.0 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.536 -0.728 . . . . 0.0 109.203 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t -59.99 -42.77 94.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.194 -0.941 . . . . 0.0 109.515 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.44 -40.77 89.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.96 -1.087 . . . . 0.0 109.254 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.27 -39.94 88.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.509 -0.745 . . . . 0.0 109.832 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.02 85.05 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.018 -1.051 . . . . 0.0 108.634 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.11 -50.0 43.03 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.414 HD11 HG22 ' B' ' 10' ' ' ILE . 97.4 mt -60.04 -47.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -1.182 . . . . 0.0 109.814 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.06 -41.89 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 108.22 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.87 -40.17 94.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.59 -0.694 . . . . 0.0 109.668 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.05 -41.71 92.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.544 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.36 -41.05 92.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.46 -42.69 96.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.379 -0.826 . . . . 0.0 109.152 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -64.4 -41.03 96.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.388 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.49 -43.47 98.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 108.976 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.1 -43.75 95.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.852 . . . . 0.0 109.002 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 58.3 t0 -60.03 -45.06 94.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.283 -0.886 . . . . 0.0 109.702 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.03 -39.96 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.223 -0.923 . . . . 0.0 109.294 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -40.61 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.188 -0.945 . . . . 0.0 108.801 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.02 -42.91 95.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.612 -0.68 . . . . 0.0 109.671 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 11.1 mpt_? -60.1 -40.87 91.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.304 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.38 -39.98 89.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.972 -1.08 . . . . 0.0 109.347 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.13 -47.74 84.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -62.75 -41.98 99.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.39 -40.26 96.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.297 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.37 -40.45 90.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.382 -0.824 . . . . 0.0 109.654 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.76 -40.43 92.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.017 -1.052 . . . . 0.0 109.952 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.466 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.0 mt -62.84 -39.97 96.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.05 -1.031 . . . . 0.0 109.628 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -63.49 -40.06 96.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.091 -1.006 . . . . 0.0 109.922 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.19 -40.03 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 109.181 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.94 -43.43 94.96 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 110.113 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.44 78.56 Favored Glycine 0 N--CA 1.487 2.069 0 C-N-CA 119.668 -1.253 . . . . 0.0 110.223 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.3 m -60.01 -49.91 75.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -1.194 . . . . 0.0 110.0 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.22 -40.01 88.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 0.0 109.722 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.748 HD22 HH21 ' B' ' 41' ' ' ARG . 41.2 t30 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.886 . . . . 0.0 109.794 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.45 -40.02 89.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.061 -1.024 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.03 -41.36 92.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 109.897 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.594 ' HG1' ' N ' ' B' ' 41' ' ' ARG . 31.1 p -59.99 -40.29 88.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.665 -1.272 . . . . 0.0 108.114 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.748 HH21 HD22 ' B' ' 37' ' ' ASN . 32.3 mtt-85 -63.77 -39.99 95.6 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.13 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.431 -0.793 . . . . 0.0 109.305 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 40' ' ' THR . 79.2 p -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.977 -1.077 . . . . 0.0 109.021 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.768 -1.207 . . . . 0.0 109.693 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.82 -40.95 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.225 -0.922 . . . . 0.0 111.255 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.88 -38.8 92.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.527 -1.358 . . . . 0.0 108.45 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.07 -45.09 94.06 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.167 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 49.2 m-85 -65.57 -39.53 91.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.983 -1.073 . . . . 0.0 109.971 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 mt -59.76 -38.59 82.2 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.03 -1.044 . . . . 0.0 108.781 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.03 -39.94 87.62 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.04 -39.12 84.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.391 -0.818 . . . . 0.0 109.342 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.651 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.8 OUTLIER -59.8 -40.11 87.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.855 -1.153 . . . . 0.0 109.067 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.29 84.02 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.819 -1.176 . . . . 0.0 108.16 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.379 -0.825 . . . . 0.0 108.852 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 118.54 12.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.961 -1.087 . . . . 0.0 108.778 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 32.8 m120 -133.65 -64.65 0.7 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.35 -0.844 . . . . 0.0 110.321 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.57 117.99 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.256 -0.902 . . . . 0.0 110.036 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -100.72 129.63 46.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.297 -0.877 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.71 21.9 65.61 Favored Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.667 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.77 23.44 0.17 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.489 -1.595 . . . . 0.0 108.685 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.13 111.46 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.442 -0.786 . . . . 0.0 109.252 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.448 ' CD2' ' NE2' ' C' ' 64' ' ' GLN . 34.3 m-85 -121.69 11.49 10.51 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 121.374 -0.829 . . . . 0.0 110.411 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.73 25.3 2.17 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.426 ' NE2' ' CD2' ' A' ' 62' ' ' PHE . 31.7 mt-30 -143.88 152.79 41.6 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -102.01 57.27 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.03 -1.044 . . . . 0.0 108.619 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.89 158.31 40.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.64 133.54 47.18 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.39 112.96 24.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.603 -1.31 . . . . 0.0 110.012 -178.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -112.86 122.01 46.38 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.513 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 67.1 t -125.28 84.44 59.67 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.485 -0.759 . . . . 0.0 109.7 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.78 63.58 6.41 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.566 2.177 . . . . 0.0 110.958 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' B' ' 73' ' ' PRO . 25.3 t90 -67.22 133.95 93.43 Favored Pre-proline 0 N--CA 1.487 1.408 0 O-C-N 121.535 -0.728 . . . . 0.0 109.091 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' B' ' 72' ' ' TRP . 80.7 Cg_exo -39.02 149.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 121.657 1.571 . . . . 0.0 110.926 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.654 HD22 ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -130.2 -60.45 1.01 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.287 -0.883 . . . . 0.0 109.48 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 124.6 36.72 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.195 -0.941 . . . . 0.0 108.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.4 107.74 14.43 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -79.59 135.92 36.72 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.779 0.8 . . . . 0.0 110.253 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.6 t -90.3 115.31 63.77 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -92.3 -46.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 121.678 1.585 . . . . 0.0 113.715 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -122.17 -44.33 2.28 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.05 94.16 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.363 -1.461 . . . . 0.0 113.142 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.577 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -76.58 -49.95 15.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.186 -1.571 . . . . 0.0 110.837 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.0 -49.99 75.51 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.029 -1.044 . . . . 0.0 110.175 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.01 -47.07 87.36 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.863 -1.148 . . . . 0.0 109.408 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 81' ' ' TRP . 60.1 p -68.91 -39.92 79.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.236 -0.915 . . . . 0.0 109.625 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -66.68 -40.02 88.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.866 -1.146 . . . . 0.0 109.208 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.08 -41.75 93.12 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.882 -1.136 . . . . 0.0 108.345 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.45 -41.52 97.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.96 . . . . 0.0 108.902 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.459 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.3 t90 -60.02 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.61 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -60.84 -41.78 96.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.073 -1.017 . . . . 0.0 109.449 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.65 -40.85 96.36 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.125 -0.985 . . . . 0.0 110.469 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.3 -40.7 91.46 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.12 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.147 -0.97 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.461 -0.774 . . . . 0.0 110.192 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -61.67 -41.12 97.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.952 -1.092 . . . . 0.0 109.667 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.18 -40.54 82.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.177 -0.952 . . . . 0.0 109.104 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.23 -45.64 93.72 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.193 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.12 -41.0 99.25 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.18 -42.29 96.75 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.187 -0.946 . . . . 0.0 109.192 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.66 -47.79 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.353 -0.842 . . . . 0.0 109.379 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 38.5 p -60.33 -42.39 95.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 109.462 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.98 75.45 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.367 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.41 -44.01 97.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.321 -0.862 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.1 -41.88 97.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -49.98 75.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.149 -0.969 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.89 -42.52 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.179 -0.951 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.99 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.32 -0.863 . . . . 0.0 109.797 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.93 -46.21 90.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.142 -0.974 . . . . 0.0 109.572 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.1 -49.04 85.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.184 -0.948 . . . . 0.0 109.306 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.67 -40.05 80.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.128 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -49.93 75.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.006 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.08 -40.04 96.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.122 -0.986 . . . . 0.0 109.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -64.27 -40.46 96.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.855 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.29 -44.22 97.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.953 -1.092 . . . . 0.0 109.431 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 55.3 ttp -65.83 -40.98 92.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.241 -0.912 . . . . 0.0 109.014 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.95 -49.34 78.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.38 -0.825 . . . . 0.0 109.798 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.96 91.36 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.266 -0.896 . . . . 0.0 109.543 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -41.78 95.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.889 . . . . 0.0 109.485 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.8 mt-30 -60.03 -41.21 91.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.2 -39.95 88.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.913 . . . . 0.0 108.938 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.04 -48.25 82.48 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -116.67 57.81 0.77 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.497 1.889 0 O-C-N 120.984 -1.073 . . . . 0.0 109.054 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -70.01 144.59 52.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 109.14 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -89.39 60.63 5.31 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.161 -0.962 . . . . 0.0 109.213 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.03 -39.97 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 109.262 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -60.03 -42.82 95.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.268 -0.895 . . . . 0.0 109.43 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.29 -40.98 90.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 109.271 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.23 -39.71 87.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.541 -0.724 . . . . 0.0 109.892 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.96 86.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.064 -1.022 . . . . 0.0 108.638 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.0 -50.02 43.58 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.407 HD11 HG22 ' C' ' 10' ' ' ILE . 97.3 mt -59.97 -47.79 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.254 -1.144 . . . . 0.0 109.804 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.93 -42.09 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.932 -1.105 . . . . 0.0 108.259 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.49 -40.44 94.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.584 -0.698 . . . . 0.0 109.654 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.01 -41.57 92.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.672 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -60.27 -40.88 91.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.069 -1.019 . . . . 0.0 108.929 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.87 -42.48 97.96 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.481 -0.762 . . . . 0.0 109.117 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.46 -41.02 96.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.181 -0.949 . . . . 0.0 109.372 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.59 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.133 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.0 -43.8 94.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.355 -0.841 . . . . 0.0 109.014 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 58.4 t0 -59.99 -45.06 93.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.282 -0.886 . . . . 0.0 109.637 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.0 -40.09 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.859 . . . . 0.0 109.339 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.57 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.293 -0.88 . . . . 0.0 108.756 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.05 -43.02 95.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.625 -0.672 . . . . 0.0 109.714 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 11.0 mpt_? -60.08 -41.05 91.61 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.263 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.2 -40.05 88.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.013 -1.054 . . . . 0.0 109.272 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.06 -47.85 84.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.348 -0.845 . . . . 0.0 108.989 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.75 -41.78 99.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.323 -0.861 . . . . 0.0 109.643 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.52 -40.26 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.183 -0.948 . . . . 0.0 109.28 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.23 -40.8 91.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.329 -0.857 . . . . 0.0 109.618 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -40.63 91.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.485 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.8 mt -62.55 -40.09 95.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 0.0 109.662 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.5 p -63.52 -40.0 95.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -0.958 . . . . 0.0 110.014 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.27 -39.95 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.0 -43.49 95.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 110.139 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -49.45 78.41 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.281 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.163 -1.198 . . . . 0.0 110.015 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.24 -40.03 88.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.678 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.741 HD22 HH21 ' C' ' 41' ' ' ARG . 40.9 t30 -60.0 -41.3 91.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 0.0 109.773 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.66 -40.04 90.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.998 -1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.01 -41.22 91.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 109.908 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.61 ' HG1' ' N ' ' C' ' 41' ' ' ARG . 30.8 p -60.08 -40.23 88.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.728 -1.232 . . . . 0.0 108.152 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.741 HH21 HD22 ' C' ' 37' ' ' ASN . 31.5 mtt-85 -63.89 -40.02 95.54 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.1 -40.18 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.393 -0.817 . . . . 0.0 109.166 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' C' ' 40' ' ' THR . 82.8 p -60.01 -40.0 87.71 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.037 -1.039 . . . . 0.0 109.053 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.632 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.413 HG22 HD11 ' C' ' 45' ' ' ILE . 86.2 mt -62.77 -40.96 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.252 -0.905 . . . . 0.0 111.304 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.91 -38.82 92.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.579 -1.326 . . . . 0.0 108.452 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.03 -45.07 94.02 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.234 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 49.2 m-85 -65.8 -39.3 90.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.09 -1.006 . . . . 0.0 110.015 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.84 -38.56 82.39 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.98 -39.98 87.59 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.03 -39.17 84.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.326 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.668 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.813 -1.179 . . . . 0.0 109.109 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.42 84.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.768 -1.207 . . . . 0.0 108.115 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.91 -39.76 86.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.0 108.86 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 mt -69.55 118.54 12.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 108.8 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 32.7 m120 -133.54 -64.5 0.71 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.394 -0.816 . . . . 0.0 110.43 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.79 117.88 4.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.105 -0.997 . . . . 0.0 110.008 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.414 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 89.0 m95 -100.59 129.6 46.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.331 -0.856 . . . . 0.0 110.109 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 63.8 21.8 65.67 Favored Glycine 0 N--CA 1.488 2.144 0 C-N-CA 119.983 -1.104 . . . . 0.0 110.682 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.8 23.63 0.16 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.583 -1.539 . . . . 0.0 108.708 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.27 111.06 2.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.424 -0.797 . . . . 0.0 109.229 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.449 ' CD2' ' NE2' ' A' ' 64' ' ' GLN . 34.6 m-85 -121.34 11.54 10.76 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.323 -0.86 . . . . 0.0 110.418 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.86 25.2 2.15 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' B' ' 62' ' ' PHE . 31.5 mt-30 -143.84 152.61 41.39 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -101.9 57.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.99 -1.069 . . . . 0.0 108.611 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.23 40.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.521 -0.737 . . . . 0.0 109.906 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -129.66 133.47 47.12 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.17 113.02 24.72 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.643 -1.286 . . . . 0.0 110.272 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -112.84 122.02 46.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.508 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 67.5 t -125.52 84.3 60.42 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.526 -0.734 . . . . 0.0 109.614 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.5 63.46 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.565 2.176 . . . . 0.0 110.836 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.7 t90 -67.12 134.0 93.64 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.97 149.43 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.136 0 C-N-CA 121.734 1.623 . . . . 0.0 110.944 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.651 HD22 ' NE2' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -130.38 -60.59 1.0 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.246 -0.908 . . . . 0.0 109.413 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.24 124.48 36.34 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.409 -0.807 . . . . 0.0 108.974 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.39 107.75 14.43 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -79.66 135.95 36.68 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.806 0.812 . . . . 0.0 110.199 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -90.54 115.29 63.81 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -92.29 -47.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.034 0 C-N-CA 121.652 1.568 . . . . 0.0 113.617 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.18 -44.13 2.29 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -60.36 -44.89 95.14 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.381 -1.45 . . . . 0.0 113.142 -175.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.578 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -76.59 -49.94 15.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.213 -1.554 . . . . 0.0 110.775 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -60.09 -49.94 75.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -47.06 87.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.925 -1.109 . . . . 0.0 109.32 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' C' ' 81' ' ' TRP . 60.0 p -68.94 -39.89 79.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.256 -0.902 . . . . 0.0 109.784 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -66.61 -39.98 88.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.89 -1.131 . . . . 0.0 109.177 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.03 -42.09 93.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.909 -1.119 . . . . 0.0 108.26 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.12 -41.55 96.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.212 -0.93 . . . . 0.0 108.859 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.466 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.3 t90 -59.95 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 109.668 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.14 -41.63 97.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -40.97 96.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.375 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.27 -40.57 90.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.874 -1.141 . . . . 0.0 109.75 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.03 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.146 -0.971 . . . . 0.0 109.003 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.96 -47.58 85.2 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.391 -0.818 . . . . 0.0 110.194 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -61.83 -40.72 96.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.08 . . . . 0.0 109.623 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.47 -40.38 81.03 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.131 -0.981 . . . . 0.0 109.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.54 -45.29 94.82 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.281 -0.887 . . . . 0.0 109.238 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.33 -40.84 98.42 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.311 -0.868 . . . . 0.0 109.48 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.58 -42.23 95.76 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 0.0 109.127 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.46 -48.25 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.283 -0.886 . . . . 0.0 109.327 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -42.28 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -0.986 . . . . 0.0 109.406 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.93 75.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.26 -0.9 . . . . 0.0 109.363 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.43 -44.08 97.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.502 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.1 -41.78 97.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.157 -0.964 . . . . 0.0 109.591 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.84 -42.66 98.22 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.259 -0.901 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.97 87.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.314 -0.866 . . . . 0.0 109.745 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.0 -46.35 89.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.003 -1.061 . . . . 0.0 109.546 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.07 -49.0 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.299 -0.876 . . . . 0.0 109.316 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.72 -40.06 80.13 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.202 -0.936 . . . . 0.0 110.197 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -60.01 -49.87 75.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.031 -1.043 . . . . 0.0 110.036 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.19 -40.04 96.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.993 . . . . 0.0 109.618 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.12 -40.45 96.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.832 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.06 -44.52 96.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.004 -1.06 . . . . 0.0 109.47 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 55.0 ttp -65.56 -41.32 93.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.294 -0.879 . . . . 0.0 109.009 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.95 -49.05 79.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.405 -0.809 . . . . 0.0 109.733 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -40.2 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.56 -41.64 94.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.434 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -60.07 -41.43 92.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.811 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -59.95 -40.06 87.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.97 -48.33 82.16 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -116.64 58.08 0.77 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.479 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 m . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.033 . . . . 0.0 109.054 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.63 144.21 49.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.511 -0.743 . . . . 0.0 109.533 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 3' ' ' SER . 24.0 p -89.57 59.64 4.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 108.967 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.16 -40.0 95.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.444 -0.785 . . . . 0.0 109.518 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.05 -43.36 95.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.152 -0.968 . . . . 0.0 109.183 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' A' ' 5' ' ' THR . 63.5 tp -63.65 -41.72 98.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 0.0 108.411 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.88 -39.73 92.94 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.698 -0.626 . . . . 0.0 109.656 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.57 91.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.065 -1.022 . . . . 0.0 108.449 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.93 -44.35 68.59 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.11 -50.0 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -1.183 . . . . 0.0 110.541 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.15 -44.33 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.807 -1.183 . . . . 0.0 109.211 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.42 -40.0 89.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.91 -41.04 90.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.094 -1.004 . . . . 0.0 109.497 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.81 -41.61 96.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.047 -1.033 . . . . 0.0 109.379 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -46.03 90.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.409 -0.807 . . . . 0.0 109.515 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.89 -41.9 96.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 109.761 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.77 -40.46 97.36 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.186 -0.946 . . . . 0.0 109.404 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.67 -41.62 99.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.175 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.98 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.19 -40.21 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.246 -0.908 . . . . 0.0 109.507 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -43.62 92.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.87 -40.26 94.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.49 -0.756 . . . . 0.0 109.07 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.3 mmt180 -60.68 -40.47 92.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.174 -0.954 . . . . 0.0 109.279 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.78 -39.95 90.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.172 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.05 -46.94 87.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.393 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.1 -40.42 94.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.155 -0.965 . . . . 0.0 109.349 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.77 -39.94 94.44 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.436 -0.79 . . . . 0.0 109.198 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.14 -40.33 89.44 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.156 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -40.18 91.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -0.987 . . . . 0.0 109.653 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.0 mt -63.25 -40.07 96.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.454 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.46 -40.07 95.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.964 -1.085 . . . . 0.0 109.301 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.72 -40.02 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.466 -0.771 . . . . 0.0 109.061 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.97 -43.62 94.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.353 -0.842 . . . . 0.0 110.122 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.97 -47.5 90.39 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.19 -50.03 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.253 . . . . 0.0 109.835 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.69 -40.23 91.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.705 HD22 HH21 ' A' ' 41' ' ' ARG . 46.1 t30 -60.1 -40.17 88.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.106 -0.996 . . . . 0.0 109.688 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.65 -40.06 90.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.9 -41.33 91.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 43' ' ' THR . 66.7 p -60.77 -40.57 93.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.899 -1.126 . . . . 0.0 109.036 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.705 HH21 HD22 ' A' ' 37' ' ' ASN . 33.9 mtt-85 -68.49 -39.98 81.12 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.445 -0.785 . . . . 0.0 109.081 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.98 -41.72 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.356 -0.84 . . . . 0.0 108.885 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 40' ' ' THR . 54.0 p -60.45 -39.93 89.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.069 -1.019 . . . . 0.0 109.301 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.65 94.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.155 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.97 -39.59 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.07 87.49 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.188 -0.945 . . . . 0.0 109.281 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.18 -43.48 95.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 109.378 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 60.5 m-85 -67.06 -40.01 86.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 109.671 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 82.9 mt -59.99 -39.98 87.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.751 -1.218 . . . . 0.0 108.05 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.61 -34.88 69.74 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.419 -1.426 . . . . 0.0 107.64 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -64.4 -28.24 69.55 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 6.5 tt0 -57.3 -45.93 83.68 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.94 87.42 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.277 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.48 117.33 16.18 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.137 -0.977 . . . . 0.0 108.861 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.666 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 77.5 m-20 -133.25 -71.1 0.52 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.428 -0.795 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.1 117.38 4.21 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 109.56 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -101.14 131.41 47.1 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.318 -0.864 . . . . 0.0 111.181 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 61.55 25.05 64.75 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.85 23.75 0.16 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.607 -1.525 . . . . 0.0 109.431 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.18 114.12 2.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.067 -1.021 . . . . 0.0 109.784 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -122.2 11.6 10.16 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.275 -0.891 . . . . 0.0 108.815 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.3 2.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -147.37 152.52 38.31 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 t -101.97 58.86 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.67 158.32 43.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.506 -0.746 . . . . 0.0 109.816 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -129.68 134.09 47.46 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -89.91 111.53 22.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 109.109 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.02 43.88 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.666 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 60.9 t -125.78 81.79 65.0 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 121.453 -0.779 . . . . 0.0 109.518 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -85.51 60.12 5.19 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.892 2.394 . . . . 0.0 111.628 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.532 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 29.8 t90 -71.78 131.47 85.88 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.528 -0.732 . . . . 0.0 109.59 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.532 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.0 Cg_exo -40.9 149.81 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.415 1.41 . . . . 0.0 110.978 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 2.6 t30 -130.42 -43.5 1.15 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.142 -0.974 . . . . 0.0 109.564 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.35 125.16 39.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.286 -0.884 . . . . 0.0 109.075 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -81.7 108.31 15.14 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.93 134.56 34.66 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.541 0.686 . . . . 0.0 110.165 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -93.61 113.39 60.17 Favored Pre-proline 0 N--CA 1.495 1.793 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.11 -48.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.575 1.517 . . . . 0.0 113.71 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -121.39 -44.04 2.38 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.05 -50.18 74.74 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.306 -1.496 . . . . 0.0 112.806 -175.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.2 t30 -70.25 -43.79 69.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.922 -1.737 . . . . 0.0 109.938 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -60.06 -50.12 74.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 111.104 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.42 -40.17 95.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.86 -1.15 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.9 p -70.14 -39.97 75.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.687 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.479 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -68.26 -39.94 82.08 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.35 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.08 -42.03 93.73 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.641 -1.287 . . . . 0.0 108.585 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.14 -42.81 95.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.498 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -60.03 -49.87 75.97 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.84 -40.03 95.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.109 -0.995 . . . . 0.0 109.37 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -61.18 -42.45 98.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.145 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.01 -43.5 95.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.825 -1.172 . . . . 0.0 108.34 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.01 -41.89 87.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.17 -44.8 94.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.281 -0.887 . . . . 0.0 110.614 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.26 -40.05 86.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.86 -1.15 . . . . 0.0 109.734 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.47 -39.94 81.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.056 -1.028 . . . . 0.0 108.995 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.22 -45.07 94.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.58 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -46.26 90.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 0.0 109.714 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.461 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -60.02 -45.61 92.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.216 -0.928 . . . . 0.0 109.502 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 100' ' ' ILE . 96.6 mt -60.0 -46.92 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.766 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 75.5 p -59.95 -42.47 94.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.913 -1.117 . . . . 0.0 109.103 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -50.0 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.326 -0.859 . . . . 0.0 109.601 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.03 -43.81 95.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.846 . . . . 0.0 109.543 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.18 -42.71 99.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 0.0 109.535 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.35 -43.49 96.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.14 -0.975 . . . . 0.0 109.55 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -68.16 -39.94 82.47 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.149 -0.969 . . . . 0.0 108.862 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.47 91.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.03 -47.6 85.19 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.051 -1.031 . . . . 0.0 109.37 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.99 -50.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.193 -0.942 . . . . 0.0 109.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.43 -40.15 85.47 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.411 -0.805 . . . . 0.0 110.249 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -59.92 -49.73 76.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.916 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.042 -1.036 . . . . 0.0 109.563 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.2 -39.86 89.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 109.842 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.1 -40.77 94.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.859 -1.15 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.04 -40.01 75.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.04 . . . . 0.0 108.891 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.08 -44.18 94.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 0.0 109.19 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.16 -40.1 88.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.028 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.01 -40.1 88.1 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.4 mt-30 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.0 109.686 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.99 -39.97 87.56 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.15 -0.969 . . . . 0.0 109.724 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.95 -47.57 85.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.56 61.18 1.32 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.081 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.26 144.34 50.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.458 -0.777 . . . . 0.0 109.486 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' B' ' 3' ' ' SER . 22.0 p -89.53 59.68 4.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.95 . . . . 0.0 108.931 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -64.25 -40.04 95.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.825 . . . . 0.0 109.531 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 8.8 t -60.15 -42.75 95.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.23 -0.919 . . . . 0.0 109.324 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.8 tp -64.49 -41.03 96.7 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.27 -39.82 94.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.641 -0.662 . . . . 0.0 109.597 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.44 92.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.066 -1.021 . . . . 0.0 108.476 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -44.51 69.29 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.2 -49.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.289 -1.124 . . . . 0.0 110.518 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.09 -44.29 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.72 -1.238 . . . . 0.0 109.126 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -60.25 -40.06 88.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.331 -0.856 . . . . 0.0 109.76 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -41.34 91.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.217 -0.927 . . . . 0.0 109.488 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.57 -41.64 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.07 -45.88 91.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.0 109.411 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.87 -41.85 96.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.75 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.89 -41.04 99.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.31 -0.869 . . . . 0.0 109.341 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.6 tp -62.14 -41.66 98.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.14 -0.975 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -48.27 82.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.374 -0.829 . . . . 0.0 109.967 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.75 -39.98 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.35 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -43.43 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.09 -40.06 94.58 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.544 -0.723 . . . . 0.0 109.063 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.493 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.4 mmt180 -60.92 -40.41 93.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 109.304 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.7 -39.98 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.862 . . . . 0.0 109.192 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -60.02 -47.01 87.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.13 -40.33 94.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.079 -1.013 . . . . 0.0 109.332 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.74 -40.05 94.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.383 -0.823 . . . . 0.0 109.115 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.04 -40.33 89.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.383 -0.823 . . . . 0.0 109.26 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.79 -40.27 92.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.579 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.504 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.8 mt -63.27 -39.99 96.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.3 p -64.3 -40.02 95.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.982 -1.074 . . . . 0.0 109.299 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.07 -39.96 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.432 -0.792 . . . . 0.0 109.141 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -60.01 -43.36 95.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.382 -0.824 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.93 -47.76 89.03 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.04 -49.94 75.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -1.207 . . . . 0.0 109.93 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -60.9 -40.21 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.974 -1.079 . . . . 0.0 109.952 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.722 HD22 HH21 ' B' ' 41' ' ' ARG . 45.6 t30 -60.08 -40.11 88.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 109.581 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.69 -39.95 90.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.16 -0.963 . . . . 0.0 109.821 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.474 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 43' ' ' THR . 65.7 p -60.64 -40.8 93.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.891 -1.131 . . . . 0.0 109.032 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.722 HH21 HD22 ' B' ' 37' ' ' ASN . 33.1 mtt-85 -68.34 -40.03 81.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.04 -41.76 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.935 . . . . 0.0 108.767 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 40' ' ' THR . 55.4 p -60.31 -40.03 89.08 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.07 -1.019 . . . . 0.0 109.377 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.69 94.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 0.0 109.12 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.97 -39.54 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.71 -40.07 86.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.273 -0.892 . . . . 0.0 109.264 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -60.37 -43.07 96.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.897 -1.127 . . . . 0.0 109.523 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 60.4 m-85 -67.48 -40.03 85.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 109.683 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' B' ' 52' ' ' GLN . 83.5 mt -60.01 -39.92 87.46 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.779 -1.201 . . . . 0.0 107.995 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.75 -34.84 69.97 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.452 -1.405 . . . . 0.0 107.644 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -64.36 -28.42 69.68 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.478 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 6.5 tt0 -56.96 -46.02 82.45 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.0 87.81 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.849 . . . . 0.0 109.196 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -74.46 117.23 16.04 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.122 -0.986 . . . . 0.0 108.849 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 76.2 m-80 -133.08 -70.8 0.53 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.31 -0.869 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.22 117.25 4.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.29 -0.881 . . . . 0.0 109.578 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -101.2 131.57 47.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.29 -0.881 . . . . 0.0 111.16 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.58 24.98 64.71 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.97 23.71 0.17 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.651 -1.499 . . . . 0.0 109.456 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.08 114.34 2.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.159 -0.963 . . . . 0.0 109.725 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -122.42 11.66 10.01 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.33 -0.856 . . . . 0.0 108.835 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.16 2.77 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -147.12 152.59 38.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.055 -1.028 . . . . 0.0 108.235 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 t -101.95 58.73 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.63 158.16 43.11 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.507 -0.746 . . . . 0.0 109.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.49 134.09 47.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.8 t -89.9 111.72 22.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.744 -1.222 . . . . 0.0 109.127 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.12 120.94 43.51 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.632 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 61.4 t -125.72 81.75 64.83 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.463 -0.773 . . . . 0.0 109.522 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.55 60.14 5.16 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.888 2.392 . . . . 0.0 111.639 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.529 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 31.1 t90 -71.75 131.4 86.0 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.518 -0.739 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.529 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.4 Cg_exo -40.81 149.76 0.15 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.489 1.46 . . . . 0.0 110.852 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 2.6 t30 -130.37 -43.23 1.16 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.158 -0.964 . . . . 0.0 109.546 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.33 125.18 39.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.842 . . . . 0.0 109.148 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -81.8 108.29 15.22 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -84.04 134.65 34.62 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.613 0.72 . . . . 0.0 110.161 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.8 t -93.62 113.38 60.15 Favored Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.596 -0.69 . . . . 0.0 109.186 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -90.3 -48.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.037 0 C-N-CA 121.506 1.471 . . . . 0.0 113.716 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -121.38 -44.26 2.37 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.01 -50.1 75.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.25 -1.531 . . . . 0.0 112.896 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.3 t30 -70.41 -43.75 69.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 119.937 -1.727 . . . . 0.0 109.914 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.96 -50.04 75.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.231 -0.918 . . . . 0.0 110.98 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.61 -40.24 95.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.806 -1.184 . . . . 0.0 109.969 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.2 p -70.06 -39.95 75.35 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.16 -0.963 . . . . 0.0 109.765 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.489 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.3 t-105 -68.08 -40.05 82.75 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.074 -1.016 . . . . 0.0 109.353 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.02 -42.16 93.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.732 -1.23 . . . . 0.0 108.531 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -42.86 95.56 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.489 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 62.1 t90 -59.96 -50.0 75.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.479 -0.763 . . . . 0.0 109.102 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.76 -40.27 96.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.309 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -60.75 -42.69 97.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.28 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.04 -43.36 95.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.904 -1.123 . . . . 0.0 108.406 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.06 -41.8 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.236 -0.915 . . . . 0.0 109.322 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.12 -44.84 94.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.462 -0.774 . . . . 0.0 110.633 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.3 -40.02 86.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.799 -1.188 . . . . 0.0 109.693 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.37 -40.11 81.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.058 -1.026 . . . . 0.0 109.008 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 109.582 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -46.01 90.87 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.211 -0.931 . . . . 0.0 109.704 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.7 t-20 -59.9 -45.89 91.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 109.541 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 100' ' ' ILE . 96.6 mt -60.02 -46.85 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.197 -0.94 . . . . 0.0 109.82 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 75.9 p -59.95 -42.33 93.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.058 -1.026 . . . . 0.0 109.134 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -49.95 75.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.607 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.09 -43.64 95.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.601 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.29 -42.98 99.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.17 -0.956 . . . . 0.0 109.417 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.1 -43.52 95.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.101 -0.999 . . . . 0.0 109.461 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.13 -40.02 82.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.208 -0.933 . . . . 0.0 109.053 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.66 91.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.222 -0.924 . . . . 0.0 109.659 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -47.73 84.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.018 -1.051 . . . . 0.0 109.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -59.97 -49.79 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.261 -0.9 . . . . 0.0 109.178 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.76 -39.96 84.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 110.249 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.04 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.179 -0.951 . . . . 0.0 109.741 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 0.5 OUTLIER -63.52 -40.06 96.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.053 . . . . 0.0 109.709 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.91 -39.96 91.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.239 -0.913 . . . . 0.0 109.826 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.85 -40.93 94.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.876 -1.14 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.96 -40.06 75.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 108.875 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.17 -44.19 95.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.798 . . . . 0.0 109.196 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.11 -0.994 . . . . 0.0 109.052 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.99 -40.16 88.19 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -60.07 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.216 -0.927 . . . . 0.0 109.719 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.99 -39.95 87.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 0.0 109.677 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.95 -47.62 85.04 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -126.76 61.19 1.33 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.879 -1.057 . . . . 0.0 109.072 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.73 144.56 49.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.477 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' C' ' 3' ' ' SER . 23.8 p -89.71 59.76 4.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.416 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 9.0 t -60.08 -43.02 95.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.279 -0.888 . . . . 0.0 109.241 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' C' ' 5' ' ' THR . 63.0 tp -64.31 -41.32 96.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.112 -0.992 . . . . 0.0 108.393 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.01 -39.8 93.52 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.651 -0.656 . . . . 0.0 109.616 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.44 91.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.076 -1.015 . . . . 0.0 108.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -44.24 68.63 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.19 -50.02 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 110.426 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.16 -44.44 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 109.201 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.827 . . . . 0.0 109.841 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.108 -0.995 . . . . 0.0 109.446 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.24 -41.83 93.96 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.993 -1.067 . . . . 0.0 109.317 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.04 -46.11 90.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.402 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.73 -42.03 96.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.157 -0.964 . . . . 0.0 109.746 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -40.8 98.32 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.35 -41.63 98.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.251 -0.906 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.02 -48.81 80.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.11 -40.1 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.0 109.466 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -43.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.74 -40.27 94.52 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.461 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.1 mmt180 -60.79 -40.78 93.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 109.164 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.52 -39.98 89.76 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.196 -0.94 . . . . 0.0 109.131 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.03 -47.12 87.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.0 109.459 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.99 -40.27 94.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 0.0 109.324 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.89 -40.0 94.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.402 -0.811 . . . . 0.0 109.014 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.93 -40.39 88.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.366 -0.834 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.64 -40.57 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.25 -0.907 . . . . 0.0 109.63 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.498 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.7 mt -62.89 -39.95 96.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.171 -0.955 . . . . 0.0 109.537 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.7 p -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.982 -1.074 . . . . 0.0 109.202 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.89 -40.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.305 -0.872 . . . . 0.0 109.188 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -60.06 -43.4 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 0.0 110.055 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -47.65 89.65 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.08 -50.0 75.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -1.204 . . . . 0.0 109.786 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -60.74 -40.31 91.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.719 HD22 HH21 ' C' ' 41' ' ' ARG . 45.6 t30 -59.98 -40.53 89.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.987 . . . . 0.0 109.576 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.2 -40.05 88.7 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 109.875 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.983 -1.073 . . . . 0.0 109.423 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' C' ' 43' ' ' THR . 67.5 p -60.41 -40.86 92.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.884 -1.135 . . . . 0.0 109.053 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.719 HH21 HD22 ' C' ' 37' ' ' ASN . 33.0 mtt-85 -68.38 -39.96 81.55 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.32 -0.862 . . . . 0.0 109.136 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.96 -41.74 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.181 -0.949 . . . . 0.0 108.952 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 40' ' ' THR . 50.5 p -60.32 -40.02 89.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 109.305 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.39 94.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.16 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.98 -39.7 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.04 87.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.127 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.27 -43.41 96.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.053 -1.029 . . . . 0.0 109.342 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 60.5 m-85 -67.17 -40.02 86.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.9 . . . . 0.0 109.695 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' C' ' 52' ' ' GLN . 83.5 mt -59.92 -40.06 87.57 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.763 -1.211 . . . . 0.0 108.006 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.65 -34.82 69.75 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.416 -1.427 . . . . 0.0 107.67 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -64.45 -28.2 69.51 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.481 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 6.5 tt0 -57.31 -45.97 83.67 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.401 -0.812 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.61 117.3 16.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.008 -1.057 . . . . 0.0 108.848 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.641 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 77.0 m-20 -133.32 -70.83 0.52 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.297 -0.877 . . . . 0.0 110.411 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.32 117.45 4.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.0 109.534 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -101.24 131.61 47.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.324 -0.86 . . . . 0.0 111.09 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 61.44 25.2 64.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.01 23.62 0.17 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.662 -1.493 . . . . 0.0 109.448 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -159.13 114.17 2.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -122.18 11.6 10.17 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.323 -0.86 . . . . 0.0 108.898 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 24.1 ttt180 -138.08 22.08 2.82 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -147.13 152.6 38.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 108.306 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -101.83 58.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.58 158.18 43.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.502 -0.749 . . . . 0.0 109.998 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.37 134.16 47.74 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -89.93 111.87 23.07 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.7 -1.25 . . . . 0.0 109.124 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.27 120.94 43.44 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.641 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 62.7 t -125.72 81.57 65.1 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -85.44 60.16 5.26 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.832 2.355 . . . . 0.0 111.669 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.526 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 30.3 t90 -71.71 131.52 85.96 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 109.585 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.526 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 78.5 Cg_exo -40.83 149.75 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.527 1.484 . . . . 0.0 110.876 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 2.6 t30 -130.45 -42.97 1.16 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.191 -0.943 . . . . 0.0 109.574 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.84 125.35 40.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.275 -0.89 . . . . 0.0 109.06 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.4 t -81.64 108.34 15.12 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.2 mt -84.11 134.84 34.58 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.65 0.738 . . . . 0.0 110.102 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.8 t -93.8 113.19 59.8 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.561 -0.712 . . . . 0.0 109.237 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -90.12 -48.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.563 1.509 . . . . 0.0 113.777 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.33 -44.05 2.39 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -60.1 -50.02 75.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.305 -1.497 . . . . 0.0 112.903 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.8 t30 -70.45 -43.56 69.58 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 119.852 -1.78 . . . . 0.0 109.802 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -60.27 -49.95 75.59 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.29 -0.881 . . . . 0.0 110.988 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.29 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.749 -1.219 . . . . 0.0 109.894 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 40.4 p -69.99 -40.05 75.55 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.487 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 37.1 t-105 -68.08 -39.95 82.79 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.41 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.682 -1.261 . . . . 0.0 108.58 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.08 -42.78 95.35 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.504 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 62.4 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.491 -0.755 . . . . 0.0 108.996 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.8 -40.17 96.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.357 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -60.79 -42.72 98.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.0 -43.24 95.32 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.473 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.17 -41.56 87.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 0.0 109.306 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.33 -44.97 95.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.235 -0.916 . . . . 0.0 110.65 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -67.27 -39.93 86.13 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.802 -1.186 . . . . 0.0 109.72 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.3 -40.13 81.82 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 109.088 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.23 -44.98 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -46.18 90.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.284 -0.885 . . . . 0.0 109.676 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.493 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.6 t-20 -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -46.97 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.343 -0.848 . . . . 0.0 109.764 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 76.4 p -60.02 -42.46 94.41 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.088 -1.007 . . . . 0.0 109.063 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.97 75.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.634 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.02 -43.85 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.632 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.32 -42.74 99.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 0.0 109.443 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.0 109.656 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.17 -40.05 82.39 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.254 -0.904 . . . . 0.0 108.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.52 91.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.279 -0.888 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.13 -47.39 86.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.091 -1.005 . . . . 0.0 109.438 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 109.247 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -67.56 -40.1 84.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.434 -0.791 . . . . 0.0 110.184 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -60.01 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 109.917 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 0.5 OUTLIER -63.42 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.975 -1.078 . . . . 0.0 109.602 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.13 -39.99 90.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.131 -0.981 . . . . 0.0 109.804 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.6 -41.17 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.945 -1.097 . . . . 0.0 109.522 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.0 -40.0 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.065 -1.022 . . . . 0.0 108.922 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.05 -44.15 94.9 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.17 -39.93 88.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.176 -0.952 . . . . 0.0 109.168 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.06 -40.08 88.23 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.555 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.6 mt-30 -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.677 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 109.754 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.76 -47.59 85.05 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -126.6 61.09 1.32 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.659 -0.651 . . . . 0.0 109.254 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.555 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 117.888 -1.054 . . . . 0.0 109.176 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.527 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.0 mt-30 -69.54 144.01 53.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 109.117 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.06 60.28 5.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.104 -0.997 . . . . 0.0 108.887 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.91 -40.0 87.58 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.513 -0.742 . . . . 0.0 109.443 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.9 t -61.09 -42.28 98.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.56 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' A' ' 5' ' ' THR . 61.9 tp -60.76 -42.61 97.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 108.953 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.2 mt -60.04 -39.98 87.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.456 -0.778 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.173 -0.954 . . . . 0.0 108.672 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.32 -47.1 45.76 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 10' ' ' ILE . 96.7 mt -59.98 -48.82 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.143 -1.21 . . . . 0.0 109.862 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.02 -41.14 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.046 -1.034 . . . . 0.0 108.619 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.82 -40.04 91.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.562 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.0 -41.59 92.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.14 -0.975 . . . . 0.0 109.592 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.02 -40.47 89.39 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.064 -1.023 . . . . 0.0 109.104 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.12 -43.37 95.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.484 -0.76 . . . . 0.0 109.779 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.11 -40.42 96.16 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.45 -40.83 95.91 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.985 . . . . 0.0 109.116 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' CD2' ' OE1' ' A' ' 108' ' ' GLN . 34.8 tp -60.08 -42.91 95.6 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.815 . . . . 0.0 109.135 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.3 t0 -60.07 -46.3 90.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.398 -0.814 . . . . 0.0 110.209 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.01 -39.99 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.0 109.822 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.4 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.128 -0.983 . . . . 0.0 108.465 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.02 -40.02 94.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 23.2 mmt-85 -60.0 -40.3 88.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 109.136 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.29 85.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.293 -0.88 . . . . 0.0 108.924 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -59.92 -48.96 79.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.888 . . . . 0.0 110.04 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.65 -40.39 95.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.72 -1.237 . . . . 0.0 109.674 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.67 -42.32 96.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 109.423 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.05 -40.05 88.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.237 -0.914 . . . . 0.0 110.035 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.056 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -64.19 -40.73 96.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 109.661 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.0 p -63.16 -39.99 96.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.072 -1.017 . . . . 0.0 109.397 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.04 -39.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.307 -0.87 . . . . 0.0 108.984 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.15 -42.54 95.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.776 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.32 -47.69 89.84 Favored Glycine 0 N--CA 1.488 2.133 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -49.92 75.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.918 -1.342 . . . . 0.0 109.202 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.8 -39.97 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' O ' ' OG1' ' A' ' 40' ' ' THR . 28.5 t-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 109.715 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.6 mt -59.92 -40.11 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 0.0 108.376 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.92 -39.85 86.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.44 -0.788 . . . . 0.0 109.268 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.58 ' HG1' ' N ' ' A' ' 41' ' ' ARG . 60.5 p -59.74 -40.21 87.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.735 -1.228 . . . . 0.0 108.623 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' N ' ' HG1' ' A' ' 40' ' ' THR . 45.3 mtt-85 -62.64 -39.92 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.843 -1.161 . . . . 0.0 108.684 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.06 -42.98 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 109.058 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 40' ' ' THR . 78.9 p -59.91 -40.3 88.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.034 -1.041 . . . . 0.0 109.139 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.4 75.72 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.427 -1.421 . . . . 0.0 109.204 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.11 -40.02 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.64 -39.99 90.34 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.673 -1.267 . . . . 0.0 108.502 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.17 -41.99 97.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.019 -1.051 . . . . 0.0 109.188 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 42.0 m-85 -64.67 -39.74 94.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 109.509 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.85 -37.59 79.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.876 -1.14 . . . . 0.0 108.118 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.0 -39.32 85.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.787 -1.196 . . . . 0.0 108.167 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -59.22 -39.84 83.99 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.871 -1.143 . . . . 0.0 108.168 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.08 -39.39 85.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 108.799 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.74 -34.28 62.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.886 -1.134 . . . . 0.0 108.82 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.43 -39.9 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.64 116.9 17.74 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.713 HD21 ' H ' ' A' ' 70' ' ' VAL . 67.7 m-80 -132.41 -69.43 0.58 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.264 -0.897 . . . . 0.0 109.204 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.45 87.56 1.32 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -100.45 126.62 46.87 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.772 -0.58 . . . . 0.0 109.971 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 110.63 -4.26 29.33 Favored Glycine 0 N--CA 1.498 2.814 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.664 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.43 25.71 0.31 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.0 -1.883 . . . . 0.0 109.366 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.45 102.57 14.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.585 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 17.7 m-85 -107.34 7.49 29.21 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.827 -1.171 . . . . 0.0 109.864 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.68 24.59 0.28 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.5 152.49 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.723 -0.611 . . . . 0.0 109.477 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.95 57.53 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 159.93 44.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.504 -0.748 . . . . 0.0 109.969 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -119.49 134.48 55.2 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.29 121.63 37.15 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.767 0.794 . . . . 0.0 110.916 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.27 123.05 49.09 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.713 ' H ' HD21 ' A' ' 56' ' ' ASN . 20.4 t -125.59 83.43 61.93 Favored Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.353 -0.842 . . . . 0.0 109.811 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.89 65.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 122.939 2.426 . . . . 0.0 112.122 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 47.5 t90 -68.73 130.07 92.04 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.077 -1.014 . . . . 0.0 108.657 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 57.3 Cg_exo -36.89 147.91 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.761 1.64 . . . . 0.0 111.946 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 40.5 t-20 -130.12 -60.1 1.03 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.461 -0.775 . . . . 0.0 109.49 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.69 126.2 36.69 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.042 -1.036 . . . . 0.0 108.994 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 p -80.51 108.57 14.25 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.78 136.14 35.43 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.401 0.62 . . . . 0.0 109.96 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 78' ' ' THR . 14.2 t -91.94 112.26 53.91 Favored Pre-proline 0 N--CA 1.492 1.654 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -92.91 -48.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.84 1.693 . . . . 0.0 114.867 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.4 -44.27 2.37 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.379 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.5 p90 -60.01 -51.65 68.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.292 -1.505 . . . . 0.0 112.006 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 2.0 t30 -79.58 -41.65 26.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.09 -1.631 . . . . 0.0 110.075 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.02 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.267 -0.896 . . . . 0.0 109.844 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.94 -48.4 81.84 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.087 -1.008 . . . . 0.0 109.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.5 p -65.31 -40.25 93.53 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.285 -0.884 . . . . 0.0 109.774 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -60.56 -39.95 89.85 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.055 -1.028 . . . . 0.0 109.373 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -42.1 93.53 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.853 -1.155 . . . . 0.0 108.288 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.0 -39.99 94.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.245 -0.909 . . . . 0.0 109.009 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.401 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -59.97 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.64 -44.2 96.65 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -42.62 98.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 110.864 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.43 -42.51 96.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.776 -1.203 . . . . 0.0 109.383 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.57 -41.15 86.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.077 -1.014 . . . . 0.0 108.706 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.66 -45.12 95.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.496 -0.753 . . . . 0.0 110.686 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -63.84 -41.95 97.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.811 -1.181 . . . . 0.0 109.684 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.66 -41.1 92.9 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.997 -1.065 . . . . 0.0 108.778 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.11 -48.28 82.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.374 -0.829 . . . . 0.0 109.137 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.27 -44.51 95.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.396 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.26 -44.31 95.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.519 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.18 -45.27 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.408 -0.808 . . . . 0.0 109.329 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.8 p -60.67 -41.97 96.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.259 -0.901 . . . . 0.0 109.889 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.33 99.05 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.036 . . . . 0.0 109.165 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.94 -42.21 90.33 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.14 -46.66 89.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.086 -1.009 . . . . 0.0 108.738 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.99 -41.28 96.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.538 -0.726 . . . . 0.0 109.432 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.88 95.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.401 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 26.0 mm100 -60.1 -46.72 88.68 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.411 -0.806 . . . . 0.0 109.491 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.92 -49.95 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.132 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.33 -40.17 93.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.942 . . . . 0.0 109.22 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.94 -49.46 77.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.505 -0.747 . . . . 0.0 109.439 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.18 -40.66 98.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.946 . . . . 0.0 109.278 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -63.14 -40.07 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.431 -0.793 . . . . 0.0 109.634 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.75 -40.53 84.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.959 -1.088 . . . . 0.0 109.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -69.19 -40.08 78.3 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.92 -47.47 85.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.88 -40.09 91.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.02 -41.79 92.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.9 mt-30 -60.34 -40.49 90.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.745 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -60.39 -39.94 89.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.183 -0.948 . . . . 0.0 109.219 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.82 -49.04 79.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.94 56.98 0.76 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.403 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 95.9 mt-30 -69.73 143.99 52.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.892 . . . . 0.0 109.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.25 60.32 5.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.112 -0.993 . . . . 0.0 108.821 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.86 -40.02 87.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.535 -0.728 . . . . 0.0 109.519 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.9 t -61.24 -42.27 98.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.204 -0.935 . . . . 0.0 109.527 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' B' ' 5' ' ' THR . 61.8 tp -60.65 -42.55 97.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.141 -0.974 . . . . 0.0 108.851 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.51 -0.743 . . . . 0.0 109.772 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.199 -0.938 . . . . 0.0 108.668 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.43 -47.03 45.27 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -48.88 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.257 -1.143 . . . . 0.0 109.809 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.94 -41.33 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.125 -0.984 . . . . 0.0 108.589 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.79 -39.94 90.76 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.559 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -59.99 -41.52 92.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 109.675 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.08 -40.41 89.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.968 . . . . 0.0 109.005 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.06 -43.25 95.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.787 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.09 -40.75 96.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.101 -1.0 . . . . 0.0 109.908 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.09 -40.83 95.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.21 -43.0 96.33 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.509 -0.744 . . . . 0.0 109.084 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.97 -46.33 89.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 110.202 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.99 -40.09 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 109.894 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 67.0 t -59.94 -40.67 83.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.153 -0.967 . . . . 0.0 108.568 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.0 -40.01 94.19 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.304 0.573 . . . . 0.0 109.454 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.445 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 23.9 mmt-85 -60.11 -40.27 89.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.384 -0.823 . . . . 0.0 109.02 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.97 -39.58 86.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.387 -0.821 . . . . 0.0 108.869 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.93 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -64.71 -40.37 95.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.774 -1.204 . . . . 0.0 109.605 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.59 -42.48 96.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.468 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.17 -39.89 88.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.242 -0.911 . . . . 0.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.0 108.98 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.42 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.1 mt -64.17 -40.92 97.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 58.1 p -62.83 -39.99 96.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.122 -0.986 . . . . 0.0 109.445 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.16 -39.9 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.04 -42.79 95.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.807 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.62 90.12 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.624 -1.274 . . . . 0.0 110.195 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -50.01 75.42 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.006 -1.29 . . . . 0.0 109.252 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -61.04 -39.95 91.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.299 -0.875 . . . . 0.0 109.148 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.431 ' O ' ' OG1' ' B' ' 40' ' ' THR . 28.4 t-20 -59.96 -40.14 88.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.275 -0.891 . . . . 0.0 109.672 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.98 -39.94 87.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.04 -1.037 . . . . 0.0 108.399 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.09 -39.89 87.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.391 -0.818 . . . . 0.0 109.242 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.598 ' HG1' ' N ' ' B' ' 41' ' ' ARG . 59.6 p -59.62 -40.19 86.74 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.73 -1.231 . . . . 0.0 108.587 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.598 ' N ' ' HG1' ' B' ' 40' ' ' THR . 46.3 mtt-85 -62.7 -40.0 95.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.858 -1.151 . . . . 0.0 108.587 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.03 -42.8 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -59.97 -40.27 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -1.0 . . . . 0.0 109.161 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.4 75.22 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.307 -1.496 . . . . 0.0 109.21 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.98 -40.12 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 110.657 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.63 -40.03 90.4 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.633 -1.227 . . . . 0.0 108.54 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.04 -41.57 96.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.935 -1.103 . . . . 0.0 109.339 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 41.8 m-85 -65.15 -39.93 93.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.342 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.82 -37.43 79.14 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.842 -1.161 . . . . 0.0 108.177 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.97 -39.38 85.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 108.195 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.31 -39.77 84.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.811 -1.181 . . . . 0.0 108.041 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.525 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.55 86.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.893 -1.129 . . . . 0.0 108.773 178.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.68 -34.17 61.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.834 -1.166 . . . . 0.0 108.819 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.63 -39.88 85.75 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.73 117.15 18.06 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.706 HD21 ' H ' ' B' ' 70' ' ' VAL . 67.4 m-80 -132.64 -69.23 0.58 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.188 -0.945 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.6 87.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -100.25 126.35 46.54 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.815 -0.553 . . . . 0.0 109.977 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 110.82 -4.35 29.05 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.785 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.45 25.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.012 -1.875 . . . . 0.0 109.364 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.566 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.45 102.23 14.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.441 -0.787 . . . . 0.0 109.562 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.56 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 18.4 m-85 -106.97 7.51 29.97 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.862 -1.149 . . . . 0.0 109.909 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -157.78 24.56 0.27 Allowed 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -144.54 152.59 40.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.661 -0.649 . . . . 0.0 109.51 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -111.01 57.5 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.88 159.95 43.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.489 -0.757 . . . . 0.0 109.984 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.46 134.43 55.22 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.21 121.64 37.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.416 -0.803 . . . . 0.0 110.788 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.21 123.14 49.23 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.706 ' H ' HD21 ' B' ' 56' ' ' ASN . 20.4 t -125.67 83.34 62.31 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.319 -0.863 . . . . 0.0 109.713 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.85 65.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.885 2.39 . . . . 0.0 112.043 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' B' ' 70' ' ' VAL . 47.7 t90 -68.67 130.36 91.93 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.896 -1.127 . . . . 0.0 108.705 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 62.4 Cg_exo -37.13 147.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.585 1.523 . . . . 0.0 112.005 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 40.7 t-20 -130.3 -60.15 1.01 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.427 -0.796 . . . . 0.0 109.51 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.56 126.16 36.55 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.829 -1.169 . . . . 0.0 109.025 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.1 p -80.35 108.44 13.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 mt -81.74 136.1 35.47 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.453 0.644 . . . . 0.0 109.888 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' B' ' 78' ' ' THR . 14.0 t -91.86 112.25 53.74 Favored Pre-proline 0 N--CA 1.492 1.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -92.89 -48.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 121.769 1.646 . . . . 0.0 114.952 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -121.24 -44.24 2.39 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.157 -0.964 . . . . 0.0 113.345 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.6 p90 -59.94 -51.52 69.34 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.31 -1.494 . . . . 0.0 112.075 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 2.0 t30 -79.72 -41.44 26.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.11 -1.619 . . . . 0.0 109.956 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.942 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -48.6 81.03 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.111 -0.993 . . . . 0.0 109.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 71.4 p -64.87 -39.99 94.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.135 -0.978 . . . . 0.0 109.901 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -60.95 -40.02 91.71 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.285 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -41.56 92.44 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.853 -1.155 . . . . 0.0 108.23 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.46 -39.98 95.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.444 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.5 t90 -59.99 -49.84 76.08 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.44 -44.63 95.6 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.32 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.66 -43.03 98.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.789 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.14 -42.19 94.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.682 -1.261 . . . . 0.0 109.611 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.92 -40.93 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 120.97 -1.081 . . . . 0.0 108.895 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.04 -44.89 96.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.518 -0.739 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -63.74 -41.7 97.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.728 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.9 90.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.123 -0.986 . . . . 0.0 108.819 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.27 -48.13 83.07 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.319 -0.863 . . . . 0.0 109.085 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -44.38 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.267 -0.895 . . . . 0.0 109.469 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.41 -44.14 96.02 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.307 -0.871 . . . . 0.0 109.512 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.46 -44.94 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 76.7 p -61.28 -41.02 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.924 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.89 99.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.148 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.65 -41.77 87.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.167 -0.958 . . . . 0.0 109.429 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.5 -46.25 90.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.978 . . . . 0.0 108.752 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.07 -48.1 83.14 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.04 -41.17 96.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.98 95.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 108.86 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -60.05 -46.92 87.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.301 -0.874 . . . . 0.0 109.551 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.247 -0.908 . . . . 0.0 109.132 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -65.4 -40.08 93.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 109.152 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.95 -49.59 77.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.389 -0.819 . . . . 0.0 109.368 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -63.06 -40.81 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.977 . . . . 0.0 109.318 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.93 -40.06 96.48 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.22 82.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.922 -1.111 . . . . 0.0 109.366 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -39.93 77.81 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -60.01 -47.4 85.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.567 -0.708 . . . . 0.0 109.455 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.98 91.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 109.545 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.09 -41.71 93.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.285 -0.884 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.9 mt-30 -60.23 -40.37 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.52 -39.99 89.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.251 -0.906 . . . . 0.0 109.194 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.68 -49.28 78.34 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.62 56.77 0.75 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 95.7 mt-30 -69.66 144.11 53.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.977 . . . . 0.0 109.095 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -89.2 59.87 5.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.988 -1.07 . . . . 0.0 108.888 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.94 -40.02 87.47 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.537 -0.727 . . . . 0.0 109.645 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -61.03 -42.3 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.489 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' C' ' 5' ' ' THR . 62.1 tp -60.58 -42.7 97.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -0.872 . . . . 0.0 108.99 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.15 -39.97 88.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.699 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.91 86.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.114 -0.992 . . . . 0.0 108.734 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.05 44.24 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.402 HG22 HD11 ' C' ' 10' ' ' ILE . 96.7 mt -60.07 -48.96 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.184 -1.186 . . . . 0.0 109.688 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -59.98 -40.99 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 120.994 -1.066 . . . . 0.0 108.641 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.86 -40.06 91.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.429 -0.795 . . . . 0.0 109.576 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.01 -41.34 91.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.581 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.47 89.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.99 . . . . 0.0 109.094 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.02 -43.32 95.34 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.347 -0.846 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.81 97.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.028 -1.045 . . . . 0.0 109.939 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.11 -41.0 95.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.244 -0.91 . . . . 0.0 109.17 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.05 -43.16 95.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . 0.451 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 55.6 t0 -59.97 -46.14 90.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.441 -0.787 . . . . 0.0 110.311 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.97 -40.04 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 109.79 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.02 -40.49 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.08 -1.012 . . . . 0.0 108.422 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.12 -40.07 94.65 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.451 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 23.7 mmt-85 -60.01 -40.24 88.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.02 -39.56 86.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 108.882 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -59.94 -48.77 80.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -0.94 . . . . 0.0 109.989 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -64.62 -40.07 94.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.643 -1.286 . . . . 0.0 109.681 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.23 -41.88 97.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.136 -0.978 . . . . 0.0 109.299 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.29 -40.01 88.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.1 -39.95 87.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 109.016 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.401 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.5 mt -64.1 -40.78 96.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.734 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.0 p -63.17 -39.99 96.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 109.43 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.05 -39.95 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -60.08 -42.62 94.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.376 -0.827 . . . . 0.0 109.889 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.16 -47.63 90.1 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.18 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -49.96 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.974 -1.309 . . . . 0.0 109.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.96 -40.07 91.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.219 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.431 ' O ' ' OG1' ' C' ' 40' ' ' THR . 28.4 t-20 -59.91 -40.07 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.98 -39.95 87.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 108.506 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.04 -39.71 86.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.581 ' HG1' ' N ' ' C' ' 41' ' ' ARG . 58.3 p -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.787 -1.196 . . . . 0.0 108.639 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.581 ' N ' ' HG1' ' C' ' 40' ' ' THR . 45.2 mtt-85 -62.75 -39.92 95.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.931 -1.106 . . . . 0.0 108.618 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.13 -42.69 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' C' ' 40' ' ' THR . 81.6 p -60.05 -40.13 88.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.063 -1.023 . . . . 0.0 109.178 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.37 74.78 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.415 -1.428 . . . . 0.0 109.218 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.84 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.568 -0.708 . . . . 0.0 110.593 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -40.01 91.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.753 -1.217 . . . . 0.0 108.578 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.18 -41.64 97.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.971 -1.081 . . . . 0.0 109.191 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 42.2 m-85 -64.99 -39.89 94.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.956 -1.09 . . . . 0.0 109.42 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.0 mt -59.79 -37.41 79.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.184 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.93 -39.5 85.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.932 -1.105 . . . . 0.0 108.152 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.38 -39.66 84.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.873 -1.142 . . . . 0.0 108.142 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -59.99 -39.62 86.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.022 -1.049 . . . . 0.0 108.803 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.36 62.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.976 -1.078 . . . . 0.0 108.811 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.27 -39.85 84.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -76.75 117.07 18.0 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.692 HD21 ' H ' ' C' ' 70' ' ' VAL . 68.1 m-80 -132.57 -69.5 0.58 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.21 -0.931 . . . . 0.0 109.135 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.34 87.32 1.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -100.27 126.79 46.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.716 -0.615 . . . . 0.0 109.918 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 110.18 -3.74 29.94 Favored Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.759 177.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.63 25.82 0.33 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 119.928 1.864 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.576 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.58 102.27 14.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.372 -0.83 . . . . 0.0 109.61 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 17.7 m-85 -106.97 7.52 29.96 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.855 -1.153 . . . . 0.0 109.902 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.78 24.86 0.27 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.82 152.44 40.31 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.742 -0.598 . . . . 0.0 109.497 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -110.88 57.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.91 159.93 43.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.487 -0.758 . . . . 0.0 110.003 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.56 134.41 55.24 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.23 121.81 37.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.298 -0.876 . . . . 0.0 110.837 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.47 123.11 49.29 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.692 ' H ' HD21 ' C' ' 56' ' ' ASN . 20.6 t -125.8 83.28 62.82 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.338 -0.851 . . . . 0.0 109.768 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.86 65.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.996 2.464 . . . . 0.0 112.068 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' C' ' 70' ' ' VAL . 47.3 t90 -68.9 130.18 91.78 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 120.991 -1.068 . . . . 0.0 108.786 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.462 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 59.7 Cg_exo -36.81 147.9 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.742 1.628 . . . . 0.0 111.996 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 41.1 t-20 -130.24 -60.26 1.01 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.34 -0.85 . . . . 0.0 109.39 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.65 126.36 36.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.098 -1.001 . . . . 0.0 108.963 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 13.4 p -80.65 108.73 14.53 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.13 136.15 35.2 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.494 0.664 . . . . 0.0 109.764 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.474 ' O ' ' CG2' ' C' ' 78' ' ' THR . 13.5 t -91.99 112.52 55.25 Favored Pre-proline 0 N--CA 1.491 1.593 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -93.16 -48.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.751 1.634 . . . . 0.0 114.896 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 -44.16 2.37 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.16 -0.962 . . . . 0.0 113.262 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.673 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.4 p90 -59.98 -51.69 68.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.379 -1.45 . . . . 0.0 111.997 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.673 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.9 t30 -79.77 -41.39 26.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.132 -1.605 . . . . 0.0 110.078 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.07 -49.63 76.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.111 -0.993 . . . . 0.0 109.863 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.01 -48.8 80.22 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 109.097 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 69.9 p -64.7 -40.01 94.64 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.335 -0.853 . . . . 0.0 109.798 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -61.07 -40.09 92.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.242 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.06 -41.61 92.74 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.253 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.52 -40.07 95.58 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 108.912 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.42 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -59.97 -49.85 76.05 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.39 -44.3 95.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.327 -0.858 . . . . 0.0 109.26 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.252 -0.905 . . . . 0.0 110.751 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.13 -42.28 94.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.656 -1.278 . . . . 0.0 109.426 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.7 -41.27 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.086 -1.009 . . . . 0.0 108.822 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.77 -44.82 96.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.0 110.676 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.93 -41.62 97.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.828 -1.17 . . . . 0.0 109.719 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.96 -41.14 91.59 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.129 -0.982 . . . . 0.0 108.724 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.94 -48.6 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.44 -0.788 . . . . 0.0 109.136 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -44.58 94.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.502 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -60.34 -43.99 95.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 0.0 109.53 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.47 -45.28 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 109.265 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 75.1 p -60.97 -41.18 95.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.913 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.41 99.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.953 -1.092 . . . . 0.0 109.372 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.17 -41.31 86.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.304 -0.872 . . . . 0.0 109.326 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.75 -46.59 88.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.135 -0.978 . . . . 0.0 108.698 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -47.77 84.49 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.26 -41.11 96.37 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.37 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.1 95.82 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.108 -0.995 . . . . 0.0 108.948 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.431 -0.793 . . . . 0.0 109.555 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.105 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -65.28 -40.08 93.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.06 -49.61 76.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.45 -0.781 . . . . 0.0 109.516 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.17 -40.67 98.22 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.271 -0.893 . . . . 0.0 109.267 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.88 -40.14 96.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.29 -0.881 . . . . 0.0 109.752 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.13 -40.12 82.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -40.03 77.77 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.98 -47.76 84.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.511 -0.743 . . . . 0.0 109.492 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -39.99 90.45 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -0.956 . . . . 0.0 109.486 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.02 -41.56 92.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.254 -0.904 . . . . 0.0 109.688 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.9 mt-30 -60.5 -40.74 92.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.142 -0.974 . . . . 0.0 109.621 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.0 -39.72 86.74 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.95 -49.18 78.68 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.04 57.03 0.76 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -71.59 144.89 49.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -89.38 59.95 5.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.106 -0.996 . . . . 0.0 109.335 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -65.47 -40.05 92.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.138 -0.976 . . . . 0.0 109.492 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -59.98 -43.0 95.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.082 -1.011 . . . . 0.0 109.38 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.04 -42.67 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.119 -0.988 . . . . 0.0 108.854 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.04 -38.96 84.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.45 -0.781 . . . . 0.0 109.657 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.64 57.09 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.443 HD11 HG22 ' A' ' 10' ' ' ILE . 96.6 mt -59.96 -48.73 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -1.097 . . . . 0.0 109.506 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.99 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 108.949 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.58 -39.97 89.97 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.504 -0.747 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -59.97 -41.42 91.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.0 109.596 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.63 -42.47 98.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.996 -1.065 . . . . 0.0 109.348 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.06 -45.32 93.25 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.204 -0.935 . . . . 0.0 109.095 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.15 -43.77 95.49 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.333 -0.854 . . . . 0.0 109.372 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.76 -40.67 97.99 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.242 -0.912 . . . . 0.0 109.589 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.3 tp -59.97 -42.51 94.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.267 -0.896 . . . . 0.0 108.711 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.01 -48.28 82.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.36 -0.838 . . . . 0.0 109.846 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.29 -40.59 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.257 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.3 t -59.96 -48.47 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -64.68 -40.47 95.45 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.407 HH12 ' HG ' ' B' ' 103' ' ' LEU . 38.5 ttm180 -60.67 -39.98 90.39 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -42.04 93.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.014 . . . . 0.0 109.796 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.43 -41.79 94.74 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.761 -1.212 . . . . 0.0 109.081 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.37 -40.74 91.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.685 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' A' ' 31' ' ' THR . 97.1 mt -60.0 -40.07 87.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.454 -0.779 . . . . 0.0 109.475 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.02 -40.06 87.98 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.06 -1.025 . . . . 0.0 108.751 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.8 mt -62.25 -41.39 98.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 109.749 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 81.6 p -63.24 -40.08 96.43 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.037 -1.039 . . . . 0.0 109.638 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.21 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 109.19 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.04 -42.87 95.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.533 -0.729 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.11 71.22 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 119.611 -1.28 . . . . 0.0 110.276 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -59.93 -50.01 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -1.216 . . . . 0.0 110.009 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -60.59 -40.0 90.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.855 . . . . 0.0 109.637 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.69 HD22 HH21 ' A' ' 41' ' ' ARG . 39.9 t30 -59.97 -40.45 89.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.095 -1.003 . . . . 0.0 109.47 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.25 -40.01 88.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.937 -1.102 . . . . 0.0 109.234 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.08 -40.22 88.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 109.75 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.436 ' O ' ' OG1' ' A' ' 43' ' ' THR . 44.5 p -60.06 -42.81 95.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.889 -1.132 . . . . 0.0 108.667 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.69 HH21 HD22 ' A' ' 37' ' ' ASN . 28.7 mtt-85 -63.3 -40.1 96.43 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -40.27 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.532 -0.73 . . . . 0.0 109.835 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 40' ' ' THR . 51.4 p -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.011 -1.055 . . . . 0.0 109.106 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.08 79.36 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.402 -1.436 . . . . 0.0 108.855 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 45' ' ' ILE . 83.2 mt -63.69 -42.16 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.37 -39.89 94.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.286 -1.509 . . . . 0.0 108.452 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.88 -42.18 93.18 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.153 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.2 m-85 -64.3 -39.39 93.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.683 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD2' HE22 ' C' ' 52' ' ' GLN . 46.1 mt -59.8 -40.06 87.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.071 -1.018 . . . . 0.0 108.495 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.97 -1.082 . . . . 0.0 108.817 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.01 -42.2 93.8 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.208 -0.933 . . . . 0.0 109.565 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.407 HE22 ' CD2' ' B' ' 49' ' ' LEU . 31.8 mt-30 -60.64 -40.03 90.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.924 -1.11 . . . . 0.0 109.631 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.76 -32.95 67.97 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.106 -0.996 . . . . 0.0 108.572 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.63 -37.62 76.31 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -68.53 114.63 7.1 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.669 HD21 ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -133.98 -68.53 0.56 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.274 -0.891 . . . . 0.0 109.407 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.47 87.61 1.45 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.517 ' C ' ' H ' ' A' ' 60' ' ' ALA . 72.9 m95 -104.73 146.82 28.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.559 -0.713 . . . . 0.0 110.386 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 56.56 5.28 1.14 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -75.86 23.82 0.13 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.331 -1.1 . . . . 0.0 108.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.9 107.28 2.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.68 12.81 35.8 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.286 -0.883 . . . . 0.0 109.494 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 62.5 mtp180 -117.34 21.58 13.01 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.523 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.84 151.76 32.74 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.44 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.121 -0.987 . . . . 0.0 108.752 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.52 157.82 42.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.436 -0.79 . . . . 0.0 109.319 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -125.29 133.0 52.8 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.96 120.73 40.26 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 121.892 0.853 . . . . 0.0 111.229 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -114.2 123.88 50.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.669 ' H ' HD21 ' A' ' 56' ' ' ASN . 43.1 t -132.27 78.98 67.19 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.204 -0.935 . . . . 0.0 109.963 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.09 67.94 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 123.071 2.514 . . . . 0.0 112.264 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' PRO . 28.6 t90 -67.1 132.42 93.64 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 120.89 -1.131 . . . . 0.0 108.333 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 92.5 Cg_exo -37.64 147.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.54 1.493 . . . . 0.0 112.047 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.3 OUTLIER -130.54 -60.03 1.0 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 127.05 35.35 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.7 t -78.29 112.6 15.45 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.221 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.59 140.24 44.24 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.816 0.817 . . . . 0.0 110.179 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.561 ' OG1' ' CE2' ' A' ' 81' ' ' TRP . 6.8 t -135.27 87.39 28.19 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.422 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 24.2 Cg_endo -100.25 -43.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 123.258 2.638 . . . . 0.0 114.353 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 64.4 tttm -76.96 -44.87 29.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 112.99 -176.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.561 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 6.1 p90 -90.05 -28.78 18.81 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.465 -1.397 . . . . 0.0 112.821 -177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.543 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 31.1 t30 -77.48 -49.9 13.8 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.124 -1.61 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -60.25 -45.21 94.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.088 -1.007 . . . . 0.0 110.211 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.93 -45.37 92.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.966 -1.084 . . . . 0.0 108.637 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.3 p -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -67.57 -40.0 84.88 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.243 -0.91 . . . . 0.0 109.416 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.01 -40.82 90.58 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.893 -1.129 . . . . 0.0 108.25 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.48 -42.83 99.39 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 108.237 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.541 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.2 t90 -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.443 -0.786 . . . . 0.0 109.246 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.35 -40.47 95.93 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.862 . . . . 0.0 109.546 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.88 -42.29 99.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.03 -45.06 94.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.652 -1.28 . . . . 0.0 109.271 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.69 -40.99 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.63 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.09 -46.83 88.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.693 . . . . 0.0 110.138 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -68.83 -40.03 79.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.83 -1.169 . . . . 0.0 109.084 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.91 -41.49 91.38 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.462 -0.895 . . . . 0.0 108.923 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.19 -49.49 77.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.194 -0.941 . . . . 0.0 108.714 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' ' OG1' ' A' ' 101' ' ' THR . 89.0 tt0 -61.38 -40.03 92.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.581 -0.699 . . . . 0.0 109.197 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.439 ' O ' ' NH1' ' C' ' 23' ' ' ARG . 22.7 m120 -64.25 -40.34 95.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.803 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.4 -41.41 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.077 -1.015 . . . . 0.0 108.923 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 67.0 p -60.63 -40.0 90.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.78 80.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.268 -0.895 . . . . 0.0 109.233 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.425 ' HG ' HH12 ' C' ' 23' ' ' ARG . 82.0 mt -63.21 -40.09 96.5 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.949 -1.094 . . . . 0.0 108.752 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.54 -40.51 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 109.535 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.9 -50.08 75.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.088 -1.007 . . . . 0.0 108.9 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.57 94.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.321 -0.862 . . . . 0.0 109.376 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.57 98.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.832 . . . . 0.0 109.517 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.03 -49.54 77.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.205 -0.935 . . . . 0.0 109.613 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -47.53 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.246 -0.909 . . . . 0.0 109.439 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.427 ' NE2' ' OE1' ' C' ' 16' ' ' GLN . 77.9 mt-30 -68.74 -40.31 79.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.34 -50.02 75.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.091 -1.005 . . . . 0.0 109.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -64.14 -41.95 96.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.347 -0.846 . . . . 0.0 109.133 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -67.76 -39.99 84.13 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.644 -0.822 . . . . 0.0 108.949 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.99 -44.37 96.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.138 -0.976 . . . . 0.0 109.246 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.68 -40.02 80.29 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.251 -0.906 . . . . 0.0 108.93 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -60.02 -44.85 94.33 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.354 -0.841 . . . . 0.0 110.062 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.57 -40.46 94.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.975 -1.078 . . . . 0.0 109.5 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.18 -42.26 98.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.889 . . . . 0.0 109.559 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.5 mt-30 -61.65 -39.89 92.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.188 -0.945 . . . . 0.0 109.679 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -60.09 -38.55 83.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.733 . . . . 0.0 109.445 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.65 -46.73 88.13 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.99 62.25 1.51 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.435 -0.791 . . . . 0.0 109.608 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 117.986 -1.006 . . . . 0.0 109.335 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.221 0.534 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -71.57 145.17 49.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 109.533 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.9 60.3 4.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.166 -0.959 . . . . 0.0 109.328 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -65.5 -39.99 92.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.218 -0.926 . . . . 0.0 109.461 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -60.02 -42.93 95.39 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.168 -0.957 . . . . 0.0 109.488 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.13 -42.47 94.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 108.87 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.08 -39.23 85.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 109.544 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.06 87.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.041 -1.037 . . . . 0.0 108.658 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.37 -45.83 59.0 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -48.7 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -1.078 . . . . 0.0 109.56 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.03 -41.46 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.131 -0.98 . . . . 0.0 108.898 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.64 -39.97 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.192 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.94 -41.38 91.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.51 -0.744 . . . . 0.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.77 -42.47 99.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.044 -1.035 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.05 -45.25 93.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.036 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -43.08 97.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.403 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.33 -40.37 97.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.338 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.11 -42.62 95.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.233 -0.917 . . . . 0.0 108.724 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -60.04 -48.42 81.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 109.807 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.05 -40.47 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.986 -1.072 . . . . 0.0 109.392 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.08 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.69 -40.14 94.88 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.764 0.793 . . . . 0.0 108.976 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.418 HH12 ' HG ' ' C' ' 103' ' ' LEU . 38.6 ttm180 -60.82 -40.0 91.14 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.14 -39.97 88.19 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.333 -0.854 . . . . 0.0 108.834 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -59.96 -41.79 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.019 -1.05 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.85 -41.55 96.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.797 -1.189 . . . . 0.0 109.055 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.26 -40.81 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.479 -0.763 . . . . 0.0 109.709 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.408 ' O ' ' OG1' ' B' ' 31' ' ' THR . 97.1 mt -59.97 -40.04 87.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.463 -0.773 . . . . 0.0 109.567 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.92 -40.16 87.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.073 -1.017 . . . . 0.0 108.712 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -62.38 -41.12 98.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 81.7 p -63.38 -40.24 96.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.44 -41.02 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.388 -0.82 . . . . 0.0 109.214 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -60.12 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 110.263 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.01 72.33 Favored Glycine 0 N--CA 1.489 2.187 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.3 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.01 -50.09 75.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 0.0 109.858 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.51 -39.96 89.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 0.0 109.582 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.691 HD22 HH21 ' B' ' 41' ' ' ARG . 40.1 t30 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 0.0 109.552 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.69 -39.92 90.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.008 -1.057 . . . . 0.0 109.069 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.03 -40.28 88.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 109.812 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.427 ' O ' ' OG1' ' B' ' 43' ' ' THR . 44.6 p -60.04 -42.72 95.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.9 -1.125 . . . . 0.0 108.842 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.691 HH21 HD22 ' B' ' 37' ' ' ASN . 29.4 mtt-85 -63.4 -40.08 96.24 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -40.25 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.634 -0.666 . . . . 0.0 109.803 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 40' ' ' THR . 52.0 p -60.04 -40.02 87.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.897 -1.127 . . . . 0.0 109.079 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.16 -39.92 78.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.355 -1.465 . . . . 0.0 108.796 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.69 -42.38 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.395 -0.816 . . . . 0.0 111.727 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.17 -39.88 94.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.322 -1.486 . . . . 0.0 108.544 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.98 -41.97 93.15 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.12 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.5 m-85 -64.19 -39.44 94.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.095 -1.003 . . . . 0.0 109.723 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.407 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.9 mt -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.074 -1.016 . . . . 0.0 108.458 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -60.25 -40.08 89.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.008 -1.057 . . . . 0.0 108.858 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.95 -42.05 93.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.212 -0.93 . . . . 0.0 109.599 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.433 HE22 ' CD2' ' C' ' 49' ' ' LEU . 31.6 mt-30 -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.923 -1.11 . . . . 0.0 109.493 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.07 67.61 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.138 -0.976 . . . . 0.0 108.683 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.67 -37.63 76.43 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.56 114.55 7.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.661 HD21 ' H ' ' B' ' 70' ' ' VAL . 71.3 m-80 -133.93 -69.01 0.54 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.285 -0.884 . . . . 0.0 109.4 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 87.65 1.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.514 ' C ' ' H ' ' B' ' 60' ' ' ALA . 73.0 m95 -104.92 146.21 29.34 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.533 -0.73 . . . . 0.0 110.286 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 56.97 4.88 1.13 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -75.24 24.08 0.1 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.437 -1.037 . . . . 0.0 108.902 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.09 107.3 2.26 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 110.367 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.73 12.69 35.93 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.159 -0.963 . . . . 0.0 109.627 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.509 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 62.5 mtp180 -117.22 21.53 13.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.54 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.77 151.47 32.4 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.27 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 108.775 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.79 43.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.455 -0.778 . . . . 0.0 109.345 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -125.52 132.98 52.51 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.94 120.87 40.47 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.299 -0.875 . . . . 0.0 111.267 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -114.19 123.83 50.55 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.661 ' H ' HD21 ' B' ' 56' ' ' ASN . 43.7 t -132.12 78.99 67.77 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.27 -0.894 . . . . 0.0 110.031 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.15 68.03 0.22 Allowed 'Trans proline' 0 N--CA 1.499 1.794 0 C-N-CA 123.115 2.544 . . . . 0.0 112.236 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -67.08 132.59 93.67 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 120.88 -1.137 . . . . 0.0 108.404 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -37.74 147.18 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 121.536 1.491 . . . . 0.0 111.904 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.532 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -130.42 -60.07 1.01 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.93 127.08 35.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -78.38 112.72 15.69 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.334 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.58 140.21 44.23 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.916 0.865 . . . . 0.0 110.198 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.565 ' OG1' ' CE2' ' B' ' 81' ' ' TRP . 6.6 t -135.28 87.49 27.92 Favored Pre-proline 0 N--CA 1.494 1.73 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.417 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 23.3 Cg_endo -100.14 -44.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 123.225 2.617 . . . . 0.0 114.397 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . 0.417 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 64.4 tttm -76.9 -45.15 29.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.214 -0.929 . . . . 0.0 113.05 -176.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.565 ' CE2' ' OG1' ' B' ' 78' ' ' THR . 5.8 p90 -89.34 -29.81 18.87 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 120.501 -1.375 . . . . 0.0 112.865 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.524 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 32.3 t30 -77.02 -49.93 14.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.152 -1.593 . . . . 0.0 110.539 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.08 -45.4 93.04 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.861 -1.149 . . . . 0.0 110.252 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -45.1 93.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.039 -1.038 . . . . 0.0 108.568 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 45.7 p -70.02 -39.98 75.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.348 -0.845 . . . . 0.0 108.748 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -67.56 -39.95 84.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 0.0 109.389 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -60.03 -40.69 90.19 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.802 -1.186 . . . . 0.0 108.281 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.63 -42.86 99.48 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.518 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.7 t90 -60.0 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.174 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.31 -40.46 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.244 -0.91 . . . . 0.0 109.449 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 110.231 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.09 -45.26 93.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.623 -1.298 . . . . 0.0 109.255 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.49 -40.8 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.141 -0.974 . . . . 0.0 108.641 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -59.97 -47.38 86.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.464 -0.773 . . . . 0.0 110.171 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.59 -40.01 80.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.837 -1.165 . . . . 0.0 109.192 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.79 -41.68 91.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.26 -0.9 . . . . 0.0 108.897 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.06 -49.51 77.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.156 -0.965 . . . . 0.0 108.857 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' B' ' 101' ' ' THR . 88.9 tt0 -61.36 -40.01 92.73 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.517 -0.739 . . . . 0.0 109.057 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.43 -40.42 95.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.298 -0.876 . . . . 0.0 109.879 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.27 -41.42 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 0.0 108.978 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 98' ' ' GLU . 69.2 p -60.45 -39.99 89.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 109.431 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.0 79.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.32 -0.863 . . . . 0.0 109.109 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.407 ' HG ' HH12 ' A' ' 23' ' ' ARG . 82.2 mt -63.06 -40.05 96.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.905 -1.122 . . . . 0.0 108.801 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.64 -40.54 92.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.091 -1.006 . . . . 0.0 109.478 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.01 -49.81 76.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 108.819 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -41.1 94.99 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.307 -0.871 . . . . 0.0 109.486 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -60.08 -49.58 77.1 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.116 -0.99 . . . . 0.0 109.518 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -47.49 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.191 -0.943 . . . . 0.0 109.427 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.9 -39.99 79.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 110.12 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -60.64 -50.05 75.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.709 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -64.03 -41.58 97.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.288 -0.883 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -68.24 -39.94 82.13 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.724 -0.79 . . . . 0.0 108.975 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.95 -44.32 97.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.92 -40.0 79.3 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.276 -0.89 . . . . 0.0 108.714 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.0 -44.91 94.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.44 -0.788 . . . . 0.0 110.143 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.5 -40.58 95.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.932 -1.105 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.94 -42.69 98.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.335 -0.853 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -61.36 -40.0 92.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -60.02 -38.78 83.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.454 -0.779 . . . . 0.0 109.463 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.44 -46.47 88.66 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -129.03 62.12 1.51 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.401 -0.812 . . . . 0.0 109.58 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.857 0 O-C-N 121.066 -1.021 . . . . 0.0 109.309 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.215 0.531 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.58 144.97 49.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 0.0 109.579 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 60.2 4.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.119 -0.988 . . . . 0.0 109.331 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -65.44 -40.03 92.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 109.468 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -59.96 -42.83 94.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.094 -1.003 . . . . 0.0 109.452 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.17 -42.53 95.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 108.835 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.1 -39.25 85.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.468 -0.77 . . . . 0.0 109.579 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.63 58.78 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.432 HD11 HG22 ' C' ' 10' ' ' ILE . 96.6 mt -60.01 -48.9 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.424 -1.045 . . . . 0.0 109.49 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.93 -41.28 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 108.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.74 -39.97 90.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.785 . . . . 0.0 109.092 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.98 -41.16 91.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.473 -0.767 . . . . 0.0 109.692 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.81 -42.39 98.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.028 -1.045 . . . . 0.0 109.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.0 -45.26 93.32 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.342 -0.849 . . . . 0.0 108.999 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 27.2 mt-30 -60.48 -43.53 96.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.317 -0.865 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.88 -40.53 97.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.0 109.501 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.02 -42.63 94.76 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.695 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.88 -48.11 83.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.856 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -60.48 -40.49 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 0.0 109.31 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.01 -48.34 88.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.92 -40.31 94.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 99' ' ' ASN . 38.6 ttm180 -60.91 -39.82 90.77 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.13 -39.95 88.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 108.892 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.05 -41.72 92.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.8 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.88 -41.28 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.743 -1.223 . . . . 0.0 109.096 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.77 -40.71 93.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.504 -0.748 . . . . 0.0 109.668 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.408 ' O ' ' OG1' ' C' ' 31' ' ' THR . 96.9 mt -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.38 -0.825 . . . . 0.0 109.5 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.05 -40.13 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.03 -1.044 . . . . 0.0 108.725 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.541 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.0 mt -62.16 -41.26 98.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.944 . . . . 0.0 109.724 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 81.9 p -63.26 -40.06 96.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.035 -1.041 . . . . 0.0 109.641 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.334 -0.854 . . . . 0.0 109.263 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.03 -43.02 95.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.422 -0.799 . . . . 0.0 110.221 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -50.24 69.84 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.646 -1.264 . . . . 0.0 110.237 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -59.98 -49.97 75.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -1.21 . . . . 0.0 109.909 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.62 -40.05 90.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.931 . . . . 0.0 109.642 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.692 HD22 HH21 ' C' ' 41' ' ' ARG . 39.9 t30 -60.03 -40.12 88.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.54 -40.07 90.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.256 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.99 -40.27 88.56 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.304 -0.872 . . . . 0.0 109.81 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' C' ' 43' ' ' THR . 44.5 p -60.06 -42.63 94.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.887 -1.133 . . . . 0.0 108.764 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.692 HH21 HD22 ' C' ' 37' ' ' ASN . 29.5 mtt-85 -63.48 -39.97 95.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.16 -40.15 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.536 -0.728 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' C' ' 40' ' ' THR . 52.9 p -60.01 -39.98 87.65 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.002 -1.061 . . . . 0.0 109.164 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.04 78.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.291 -1.505 . . . . 0.0 108.834 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.404 HD11 HG22 ' C' ' 45' ' ' ILE . 83.0 mt -63.37 -42.53 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.511 -0.743 . . . . 0.0 111.739 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.02 -39.85 93.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.325 -1.484 . . . . 0.0 108.535 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -59.99 -42.02 93.32 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.146 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 36.6 m-85 -64.21 -39.58 94.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.235 -0.915 . . . . 0.0 109.692 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . 0.433 ' CD2' HE22 ' B' ' 52' ' ' GLN . 44.9 mt -59.63 -39.91 85.88 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.015 -1.053 . . . . 0.0 108.567 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.19 -40.01 88.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.075 -1.015 . . . . 0.0 108.783 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.03 -41.94 93.3 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.096 -1.002 . . . . 0.0 109.641 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.419 HE22 ' CD2' ' A' ' 49' ' ' LEU . 31.4 mt-30 -61.03 -39.99 91.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.989 -1.069 . . . . 0.0 109.552 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.51 -32.95 67.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.112 -0.992 . . . . 0.0 108.599 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.77 -37.52 76.45 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.75 114.45 7.11 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.613 HD21 ' H ' ' C' ' 70' ' ' VAL . 71.3 m-80 -133.72 -68.71 0.56 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.257 -0.902 . . . . 0.0 109.424 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.29 87.73 1.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.507 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.8 m95 -104.98 146.62 28.79 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.543 -0.723 . . . . 0.0 110.321 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 56.65 5.18 1.13 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -75.62 23.79 0.12 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.405 -1.056 . . . . 0.0 108.845 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.76 107.38 2.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.966 . . . . 0.0 110.398 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -102.67 12.81 35.82 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.263 -0.898 . . . . 0.0 109.603 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 62.7 mtp180 -117.3 21.45 13.11 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.523 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.75 151.6 32.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.8 t -108.24 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.169 -0.957 . . . . 0.0 108.672 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.36 157.96 43.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -125.78 132.8 52.22 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.86 120.63 40.08 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.84 0.829 . . . . 0.0 111.253 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' C' ' 69' ' ' THR . 15.0 t -114.02 124.02 51.11 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.613 ' H ' HD21 ' C' ' 56' ' ' ASN . 43.9 t -132.36 78.76 67.32 Favored Pre-proline 0 N--CA 1.502 2.154 0 O-C-N 121.154 -0.967 . . . . 0.0 109.931 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.94 67.87 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.055 2.504 . . . . 0.0 112.25 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' C' ' 73' ' ' PRO . 27.8 t90 -67.01 132.54 93.79 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 94.6 Cg_exo -37.52 147.28 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.572 1.514 . . . . 0.0 111.993 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.3 OUTLIER -130.55 -60.01 1.0 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.02 127.07 35.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -78.35 112.87 15.81 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.256 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.81 140.17 43.77 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.817 0.818 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.561 ' OG1' ' CE2' ' C' ' 81' ' ' TRP . 6.7 t -135.2 87.49 28.35 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . 0.41 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 27.1 Cg_endo -100.15 -44.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.306 2.671 . . . . 0.0 114.273 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . 0.41 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 64.3 tttm -76.81 -45.21 29.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 112.954 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.561 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 6.2 p90 -89.57 -29.0 19.19 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 120.543 -1.348 . . . . 0.0 112.954 -177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.531 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 31.5 t30 -77.4 -50.11 13.44 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.117 -1.615 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.19 -45.13 94.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -45.26 93.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.978 -1.076 . . . . 0.0 108.643 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.3 p -70.04 -39.98 75.41 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -67.56 -39.95 84.94 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.362 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.07 -40.69 90.37 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.945 -1.097 . . . . 0.0 108.26 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.69 -42.71 99.3 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.073 -1.017 . . . . 0.0 108.283 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.98 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.5 -0.75 . . . . 0.0 109.254 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.54 -40.69 96.06 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.344 -0.847 . . . . 0.0 109.531 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.71 -42.16 99.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.0 110.159 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.95 -45.47 92.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.634 -1.292 . . . . 0.0 109.215 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.34 -40.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.142 -0.973 . . . . 0.0 108.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.01 -46.9 87.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.455 -0.778 . . . . 0.0 110.175 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.84 -39.98 79.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 109.134 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -41.69 89.96 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.867 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.07 -1.019 . . . . 0.0 108.756 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' C' ' 101' ' ' THR . 89.0 tt0 -61.32 -40.14 93.1 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.561 -0.712 . . . . 0.0 109.103 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.39 -40.09 95.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.891 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.49 -41.47 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.149 -0.97 . . . . 0.0 108.866 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' C' ' 98' ' ' GLU . 67.4 p -60.53 -39.93 89.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.26 -0.9 . . . . 0.0 109.463 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.74 80.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.841 . . . . 0.0 109.245 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . 0.418 ' HG ' HH12 ' B' ' 23' ' ' ARG . 83.1 mt -63.24 -39.99 96.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.924 -1.11 . . . . 0.0 108.82 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.74 -40.43 92.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 109.459 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.07 -49.93 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.113 -0.992 . . . . 0.0 108.784 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.57 -41.56 94.85 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.443 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.48 98.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 109.557 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -59.97 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.147 -0.971 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.28 -47.66 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.318 -0.864 . . . . 0.0 109.287 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.71 -40.1 80.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 110.173 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -60.45 -50.01 75.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.153 -0.967 . . . . 0.0 109.808 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -64.29 -41.94 96.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.402 -0.812 . . . . 0.0 109.145 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -67.82 -39.97 83.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.344 -0.848 . . . . 0.0 108.977 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.07 -43.71 98.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.24 -39.98 78.18 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.282 -0.886 . . . . 0.0 108.739 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.04 -44.77 94.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.451 -0.781 . . . . 0.0 110.068 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.54 -40.47 94.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.039 -1.038 . . . . 0.0 109.511 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.23 -42.38 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.7 mt-30 -61.68 -40.02 93.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 109.525 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -60.01 -38.12 81.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.97 -46.44 89.44 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -129.3 62.24 1.52 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.387 -0.82 . . . . 0.0 109.538 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.195 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' H1 ' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.436 ' H ' ' H1 ' ' A' ' 1' ' ' ALA . 88.1 mt-30 -74.19 144.24 44.85 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.73 59.19 4.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.035 -1.041 . . . . 0.0 108.801 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.436 HH12 HD21 ' A' ' 122' ' ' ASN . 87.8 mtm180 -65.03 -40.04 94.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.555 -0.715 . . . . 0.0 109.128 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 13.8 t -60.31 -43.87 95.95 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.394 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 5' ' ' THR . 63.7 tp -62.55 -42.21 99.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.153 -0.967 . . . . 0.0 108.831 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.2 -40.05 92.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.558 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.38 88.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 0.0 108.543 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.64 -45.46 58.91 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.02 -47.63 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.333 -1.098 . . . . 0.0 109.418 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.462 HE22 ' CG ' ' A' ' 16' ' ' GLN . 17.7 tm0? -61.37 -40.07 92.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 109.261 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -60.04 -44.22 94.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.358 -0.838 . . . . 0.0 109.949 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.43 -40.54 91.44 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.08 -43.12 95.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' HE22 ' A' ' 12' ' ' GLN . 28.7 mt-30 -61.74 -40.44 95.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.147 -0.971 . . . . 0.0 109.25 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.41 -40.39 93.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.0 109.576 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.64 -41.11 98.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 0.0 108.958 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -59.94 -49.31 78.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 109.935 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.98 -40.93 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.97 . . . . 0.0 109.836 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -43.29 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.294 -0.879 . . . . 0.0 108.932 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.14 -40.03 95.29 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.523 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 29.8 mmt180 -60.78 -40.17 91.57 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.45 -0.781 . . . . 0.0 109.403 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.03 -43.19 95.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.293 -0.88 . . . . 0.0 109.734 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.76 -39.97 79.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 109.338 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 tp -63.11 -40.26 97.1 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.402 -0.811 . . . . 0.0 109.172 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.408 -0.808 . . . . 0.0 109.563 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.21 -40.0 88.56 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.04 -1.038 . . . . 0.0 109.64 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 83.6 mt -62.12 -41.69 98.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 0.0 110.018 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.0 -39.94 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.738 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.32 -40.3 85.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.269 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -59.94 -43.1 95.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.292 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.0 93.09 Favored Glycine 0 N--CA 1.489 2.173 0 C-N-CA 119.459 -1.353 . . . . 0.0 109.795 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.01 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -1.135 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -59.89 -40.09 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.07 -1.019 . . . . 0.0 109.998 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.24 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.92 -40.09 87.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 0.0 109.025 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -59.96 -40.03 87.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.259 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 43' ' ' THR . 44.2 p -60.03 -41.2 91.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.897 -1.127 . . . . 0.0 108.4 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.571 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.3 mtt-85 -63.24 -40.07 96.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.122 -0.986 . . . . 0.0 108.573 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.95 -41.16 85.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.164 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 40' ' ' THR . 80.5 p -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.832 -1.168 . . . . 0.0 109.187 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.98 77.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 45' ' ' ILE . 85.6 mt -61.31 -44.02 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.526 -0.734 . . . . 0.0 111.013 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.21 -39.84 91.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.569 -1.332 . . . . 0.0 108.159 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -60.04 -43.15 95.53 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.768 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.493 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.4 m-85 -65.62 -40.03 92.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.963 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.15 -40.12 88.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 108.504 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.0 -39.71 86.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.391 -0.818 . . . . 0.0 109.173 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.67 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.883 -1.136 . . . . 0.0 108.901 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.34 78.9 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.929 -1.107 . . . . 0.0 108.431 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 0.0 108.696 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.95 117.74 11.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.102 -0.999 . . . . 0.0 108.315 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.684 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 68.7 m-80 -132.6 -62.94 0.8 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.428 -0.795 . . . . 0.0 110.647 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -155.18 116.92 4.08 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -103.34 131.45 50.4 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 110.251 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 65.57 20.78 68.3 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.93 -1.128 . . . . 0.0 110.619 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.1 22.75 0.11 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.883 -1.363 . . . . 0.0 109.043 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.91 107.44 1.28 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.171 -0.956 . . . . 0.0 109.473 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -108.8 11.96 25.91 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.181 -0.949 . . . . 0.0 110.208 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.2 mtp180 -141.9 25.27 1.96 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.078 -1.014 . . . . 0.0 109.004 177.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.28 152.71 39.61 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.39 59.11 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.219 -0.926 . . . . 0.0 109.228 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 156.22 41.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -131.25 133.26 45.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -91.86 114.55 27.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.918 -1.114 . . . . 0.0 109.252 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.6 t -112.7 119.89 39.64 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.684 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 85.6 t -122.71 86.13 49.56 Favored Pre-proline 0 N--CA 1.497 1.893 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -87.0 63.55 4.33 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.885 2.39 . . . . 0.0 111.868 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.431 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 17.2 t90 -70.03 136.78 87.15 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.402 -0.811 . . . . 0.0 109.148 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 86.9 Cg_exo -42.32 146.76 0.64 Allowed 'Trans proline' 0 N--CA 1.488 1.186 0 C-N-CA 120.974 1.116 . . . . 0.0 110.174 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.679 HD22 ' NE2' ' C' ' 52' ' ' GLN . 55.6 t30 -132.22 4.46 4.06 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.273 -0.892 . . . . 0.0 109.43 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.26 123.51 7.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -81.73 106.97 14.08 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.8 mt -79.11 136.66 37.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.478 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 78' ' ' THR . 8.8 t -90.43 111.58 48.12 Favored Pre-proline 0 N--CA 1.496 1.846 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -92.67 -49.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.089 0 C-N-CA 121.871 1.714 . . . . 0.0 114.838 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.19 -42.76 2.46 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.23 -50.07 75.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.169 -1.582 . . . . 0.0 111.811 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 57.0 t30 -72.99 -41.68 64.07 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.236 -1.54 . . . . 0.0 110.519 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.04 -50.13 74.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.078 -1.014 . . . . 0.0 110.518 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.91 -44.46 96.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.86 -1.15 . . . . 0.0 109.504 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 p -69.84 -40.05 76.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 110.142 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 30.1 t-105 -66.17 -40.04 90.19 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.898 -1.126 . . . . 0.0 109.427 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -59.98 -42.97 95.34 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 120.595 -1.316 . . . . 0.0 108.114 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.98 -41.4 91.95 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.466 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 58.4 t90 -60.06 -49.29 78.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.495 -0.753 . . . . 0.0 108.981 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.62 -40.03 95.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.168 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.13 -46.66 88.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 110.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.95 -42.43 94.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.943 -1.098 . . . . 0.0 110.059 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.24 -41.97 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.881 -1.137 . . . . 0.0 108.949 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.92 -47.1 87.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.266 -0.896 . . . . 0.0 110.318 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.23 -40.01 93.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.854 -1.153 . . . . 0.0 109.737 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.84 -41.36 87.55 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 109.016 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.53 -49.21 78.46 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 108.89 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.63 -44.1 96.74 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.284 -0.885 . . . . 0.0 109.279 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.497 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.3 t-20 -60.02 -48.39 81.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 109.417 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.93 -44.75 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.329 -0.857 . . . . 0.0 109.62 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -42.82 95.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.024 -1.047 . . . . 0.0 109.198 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.1 -47.58 85.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 0.0 108.961 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.0 -46.82 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.429 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.19 -41.2 96.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.287 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.03 -47.81 84.29 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.219 -0.926 . . . . 0.0 109.14 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.29 -40.24 93.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.21 95.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.333 -0.854 . . . . 0.0 109.53 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.97 -48.55 81.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.043 -1.035 . . . . 0.0 109.636 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.43 -46.1 93.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.228 -0.92 . . . . 0.0 109.354 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.85 -40.87 95.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.04 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 108.804 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.99 -42.53 94.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.626 -0.671 . . . . 0.0 109.514 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -61.0 -39.96 91.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.608 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -64.51 -40.24 95.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.917 -1.114 . . . . 0.0 109.257 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 115' ' ' MET . 1.4 tmt? -69.56 -39.96 77.08 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.504 ' OH ' ' NZ ' ' A' ' 120' ' ' LYS . 65.1 t80 -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.437 -0.789 . . . . 0.0 109.318 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.932 . . . . 0.0 108.615 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.483 -0.76 . . . . 0.0 109.338 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.41 95.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.954 -1.092 . . . . 0.0 109.879 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.504 ' NZ ' ' OH ' ' A' ' 116' ' ' TYR . 39.6 mmtm -60.07 -39.49 86.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.107 -0.995 . . . . 0.0 109.17 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.0 mt -59.38 -46.57 88.3 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.436 HD21 HH12 ' A' ' 4' ' ' ARG . 14.9 t-20 -125.0 60.11 1.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.636 -0.665 . . . . 0.0 109.318 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.166 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -73.94 144.29 45.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.81 59.2 4.96 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.149 -0.969 . . . . 0.0 108.67 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.429 HH12 HD21 ' B' ' 122' ' ' ASN . 87.7 mtm180 -65.23 -39.97 93.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.502 -0.749 . . . . 0.0 109.131 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.0 t -60.2 -43.95 95.53 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.303 -0.873 . . . . 0.0 109.416 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.6 tp -62.67 -41.97 99.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.141 -0.975 . . . . 0.0 108.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.43 -40.04 93.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.264 -0.897 . . . . 0.0 109.455 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.71 90.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.158 -0.964 . . . . 0.0 108.539 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -45.63 62.02 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.95 -47.58 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.271 -1.135 . . . . 0.0 109.312 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.1 -40.39 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.452 HE22 ' CG ' ' B' ' 16' ' ' GLN . 17.8 tm0? -61.64 -39.98 93.27 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -60.05 -44.59 94.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.13 -40.52 90.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -0.921 . . . . 0.0 109.893 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.145 -0.972 . . . . 0.0 109.348 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.452 ' CG ' HE22 ' B' ' 12' ' ' GLN . 28.6 mt-30 -62.03 -40.63 96.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.3 -40.32 93.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.414 -0.804 . . . . 0.0 109.48 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.83 -40.92 98.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.223 -0.923 . . . . 0.0 109.006 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -60.02 -49.43 77.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 0.0 109.903 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.06 -40.86 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.847 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -43.22 92.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.298 -0.876 . . . . 0.0 108.986 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.16 -40.0 95.2 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.582 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 29.9 mmt180 -60.88 -40.06 91.58 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.18 -40.06 88.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.402 -0.811 . . . . 0.0 109.358 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -59.93 -43.38 94.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.717 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.56 -39.98 80.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.93 -1.106 . . . . 0.0 109.269 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.16 -40.1 96.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.215 -0.928 . . . . 0.0 109.098 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.13 -40.27 89.21 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.66 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.32 -39.97 88.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.435 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.1 mt -62.04 -41.51 98.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.153 -0.967 . . . . 0.0 110.066 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.02 -40.07 95.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.0 109.77 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.18 -40.46 85.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.277 -0.889 . . . . 0.0 109.299 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.94 -43.36 95.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.442 -0.786 . . . . 0.0 110.31 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.34 -47.0 92.99 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -49.21 78.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.185 -1.185 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.96 -40.0 87.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.118 -0.989 . . . . 0.0 110.029 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.97 -40.1 87.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.103 -0.998 . . . . 0.0 109.15 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.032 -1.043 . . . . 0.0 109.085 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.03 -39.87 87.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 0.0 109.407 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 44.4 p -60.16 -41.13 92.17 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.863 -1.148 . . . . 0.0 108.256 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.624 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.6 mtt-85 -63.24 -39.98 96.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.212 -0.93 . . . . 0.0 108.667 177.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -41.13 85.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.076 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 40' ' ' THR . 80.6 p -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.854 -1.154 . . . . 0.0 109.223 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.02 76.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.824 -1.173 . . . . 0.0 109.125 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.416 HD11 HG22 ' B' ' 45' ' ' ILE . 86.9 mt -60.97 -44.19 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 111.11 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.19 -39.91 91.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.433 -1.417 . . . . 0.0 108.141 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.01 -43.19 95.4 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.194 -1.003 . . . . 0.0 108.769 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.509 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 36.0 m-85 -65.54 -39.97 92.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.937 -1.102 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.25 -40.02 88.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.79 -1.194 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 108.529 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.02 -39.65 86.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.69 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.91 -40.1 87.69 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.791 -1.193 . . . . 0.0 108.93 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.45 78.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 120.869 -1.144 . . . . 0.0 108.489 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 108.768 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.67 117.63 11.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 0.0 108.402 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.68 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 68.7 m-80 -132.55 -63.22 0.8 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.362 -0.836 . . . . 0.0 110.597 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.97 116.68 4.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.111 -0.993 . . . . 0.0 110.349 -179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.409 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 92.0 m95 -102.98 131.71 49.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.559 -0.713 . . . . 0.0 110.229 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.54 20.56 68.02 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.567 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.16 23.01 0.11 Allowed 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.939 -1.33 . . . . 0.0 109.136 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -162.02 107.41 1.26 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -108.5 11.83 26.55 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.133 -0.979 . . . . 0.0 110.231 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.538 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.0 mtp180 -141.95 25.57 1.93 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.098 -1.001 . . . . 0.0 109.017 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.56 152.7 39.37 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -103.4 59.42 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 109.295 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.51 156.16 40.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.45 -0.782 . . . . 0.0 109.403 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -131.43 133.44 45.21 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.2 t -92.09 114.75 27.38 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.9 -1.125 . . . . 0.0 109.276 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -112.93 119.9 39.55 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.68 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 87.3 t -122.91 86.06 50.49 Favored Pre-proline 0 N--CA 1.496 1.842 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.11 63.28 4.21 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.902 2.401 . . . . 0.0 111.93 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.435 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 16.7 t90 -69.7 136.78 87.94 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.186 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.435 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 86.3 Cg_exo -42.45 146.56 0.71 Allowed 'Trans proline' 0 N--CA 1.487 1.129 0 C-N-CA 120.899 1.066 . . . . 0.0 110.309 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.67 HD22 ' NE2' ' A' ' 52' ' ' GLN . 55.7 t30 -131.94 4.24 4.13 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.355 -0.841 . . . . 0.0 109.498 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.41 7.83 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.5 107.18 14.05 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -79.21 136.94 37.23 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' B' ' 78' ' ' THR . 9.0 t -90.57 111.69 49.0 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.63 -49.52 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.163 0 C-N-CA 121.63 1.553 . . . . 0.0 114.73 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.14 -42.98 2.45 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.9 p90 -59.02 -50.03 75.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.182 -1.574 . . . . 0.0 111.729 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.1 t30 -72.87 -41.94 64.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.215 -1.553 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -50.08 75.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.993 . . . . 0.0 110.679 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.07 -44.39 96.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 47.5 p -70.08 -39.97 75.28 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.213 -0.929 . . . . 0.0 110.16 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.458 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 30.1 t-105 -66.18 -39.96 90.11 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.84 -1.162 . . . . 0.0 109.369 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.05 -42.83 95.3 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.567 -1.333 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.14 -41.55 92.95 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.458 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 59.0 t90 -60.01 -48.74 80.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.507 -0.746 . . . . 0.0 109.183 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.23 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.091 -1.006 . . . . 0.0 109.131 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.97 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.268 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -59.96 -42.27 93.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.884 -1.135 . . . . 0.0 110.002 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.08 -42.13 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.932 -1.105 . . . . 0.0 109.057 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.3 t0 -59.98 -46.86 88.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.375 -0.828 . . . . 0.0 110.497 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.55 -39.94 92.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.846 -1.159 . . . . 0.0 109.703 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.63 -41.62 88.05 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.026 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.19 -49.21 78.52 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.128 -0.983 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.86 -43.73 97.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.304 -0.872 . . . . 0.0 109.42 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.523 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.4 t-20 -60.07 -48.37 82.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.05 -44.88 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.344 -0.847 . . . . 0.0 109.603 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -59.93 -42.9 94.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.153 -0.967 . . . . 0.0 109.199 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.73 84.7 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.155 -0.965 . . . . 0.0 108.748 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.93 -46.72 88.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.425 -0.797 . . . . 0.0 109.544 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.28 -41.14 96.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.244 -0.91 . . . . 0.0 109.257 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.03 -47.83 84.24 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.274 -0.891 . . . . 0.0 109.151 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.38 -40.08 93.06 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.22 94.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.286 -0.884 . . . . 0.0 109.502 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.06 -48.73 80.52 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.12 -46.34 93.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.228 -0.92 . . . . 0.0 109.155 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.48 -40.99 96.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.94 -50.09 75.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.154 -0.967 . . . . 0.0 108.875 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.531 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -61.18 -39.99 92.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.219 -0.926 . . . . 0.0 109.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.34 -40.01 95.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.978 -1.076 . . . . 0.0 109.234 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' B' ' 115' ' ' MET . 1.4 tmt? -69.74 -40.05 76.4 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . 0.516 ' OH ' ' NZ ' ' B' ' 120' ' ' LYS . 65.2 t80 -59.99 -47.25 86.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.452 -0.78 . . . . 0.0 109.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.99 -40.19 88.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.446 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.3 95.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.877 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . 0.516 ' NZ ' ' OH ' ' B' ' 116' ' ' TYR . 39.7 mmtm -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.111 -0.993 . . . . 0.0 109.13 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.33 -46.81 87.58 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . 0.429 HD21 HH12 ' B' ' 4' ' ' ARG . 15.1 t-20 -124.7 59.93 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.683 -0.636 . . . . 0.0 109.537 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.468 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.434 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.244 0.545 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.434 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 88.1 mt-30 -74.11 144.32 44.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.211 -0.931 . . . . 0.0 109.239 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.8 59.16 4.94 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.037 -1.039 . . . . 0.0 108.655 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.443 HH12 HD21 ' C' ' 122' ' ' ASN . 87.8 mtm180 -65.02 -39.94 94.13 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.492 -0.755 . . . . 0.0 109.177 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.2 t -60.31 -43.96 95.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.353 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.444 ' N ' ' CG2' ' C' ' 5' ' ' THR . 62.8 tp -62.56 -42.1 99.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 108.697 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.3 -40.1 92.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.32 -0.862 . . . . 0.0 109.616 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.27 88.48 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.207 -0.933 . . . . 0.0 108.554 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.51 -45.37 60.06 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -47.73 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.398 -1.06 . . . . 0.0 109.365 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.96 -40.42 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.456 HE22 ' CG ' ' C' ' 16' ' ' GLN . 17.7 tm0? -61.63 -40.0 93.31 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -60.06 -44.05 94.98 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.862 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.95 -40.46 93.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -42.77 94.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.008 -1.057 . . . . 0.0 109.197 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.456 ' CG ' HE22 ' C' ' 12' ' ' GLN . 28.7 mt-30 -62.23 -40.06 94.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.73 -40.13 91.86 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.273 -0.892 . . . . 0.0 109.391 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.9 -40.78 98.62 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.0 -49.63 76.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 109.862 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.98 -40.94 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.04 -1.038 . . . . 0.0 109.79 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -43.16 91.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.13 -40.29 95.85 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.497 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 30.0 mmt180 -60.53 -40.18 90.56 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.18 -40.09 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.319 -0.863 . . . . 0.0 109.302 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -59.94 -43.25 95.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.616 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.65 -39.97 80.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.941 -1.099 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.0 -40.16 96.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 109.182 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.13 -40.09 88.57 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.553 -0.717 . . . . 0.0 109.711 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.57 -40.04 90.2 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.066 -1.021 . . . . 0.0 109.599 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.419 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.6 mt -61.93 -41.64 98.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 109.967 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.6 p -63.97 -40.0 95.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.755 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.25 -40.46 86.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 0.0 109.291 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.01 -42.83 95.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -0.84 . . . . 0.0 110.377 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.53 93.99 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.18 -49.33 78.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 0.0 109.966 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -60.02 -39.96 87.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.087 -1.008 . . . . 0.0 109.986 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.93 -40.1 87.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.922 -1.111 . . . . 0.0 109.363 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.149 -0.969 . . . . 0.0 108.994 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.98 -39.96 87.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.439 -0.788 . . . . 0.0 109.386 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' C' ' 43' ' ' THR . 44.2 p -59.99 -41.06 91.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.873 -1.142 . . . . 0.0 108.431 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.573 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.4 mtt-85 -63.52 -40.02 95.95 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -40.72 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.404 -0.81 . . . . 0.0 109.147 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' C' ' 40' ' ' THR . 80.6 p -60.44 -39.97 89.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.867 -1.145 . . . . 0.0 109.246 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.56 -40.05 77.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.847 -1.158 . . . . 0.0 109.041 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.41 -43.72 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.411 -0.806 . . . . 0.0 111.05 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.48 -39.92 92.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.399 -1.438 . . . . 0.0 108.105 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.98 -43.4 95.13 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.285 -0.966 . . . . 0.0 108.523 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.498 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.5 m-85 -65.33 -40.19 93.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.91 -1.119 . . . . 0.0 110.046 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.758 -1.214 . . . . 0.0 109.144 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.845 -1.159 . . . . 0.0 108.515 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 48.9 t0 -59.93 -39.72 86.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 109.127 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.679 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.98 -39.41 85.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.969 -1.082 . . . . 0.0 108.932 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.43 80.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.996 -1.065 . . . . 0.0 108.39 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.93 -40.12 87.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.0 108.74 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.65 118.02 11.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.0 108.339 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.676 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 69.1 m-80 -132.9 -63.0 0.79 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.359 -0.838 . . . . 0.0 110.466 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.409 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -155.05 116.88 4.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.197 -0.94 . . . . 0.0 110.3 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.412 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 92.3 m95 -103.16 131.42 50.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.481 -0.762 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.59 20.43 67.98 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.044 -1.075 . . . . 0.0 110.62 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.83 23.24 0.1 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.927 -1.337 . . . . 0.0 108.985 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -162.4 107.42 1.19 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -108.75 11.77 26.13 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.164 -0.96 . . . . 0.0 110.233 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 56.3 mtp180 -142.09 25.8 1.89 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.124 -0.985 . . . . 0.0 108.878 177.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.79 152.29 38.53 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.3 t -103.09 59.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.254 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.1 156.29 41.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.369 -0.832 . . . . 0.0 109.445 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -131.53 133.11 44.73 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.0 t -91.92 114.62 27.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.832 -1.168 . . . . 0.0 109.376 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -112.81 120.02 40.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.676 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 84.9 t -122.95 86.18 50.65 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -86.97 63.34 4.34 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.984 2.456 . . . . 0.0 111.88 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.442 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 16.6 t90 -69.92 136.61 87.44 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.444 -0.785 . . . . 0.0 109.172 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.442 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 87.2 Cg_exo -42.25 146.86 0.6 Allowed 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 120.909 1.073 . . . . 0.0 110.218 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.69 HD22 ' NE2' ' B' ' 52' ' ' GLN . 55.1 t30 -132.28 4.11 4.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.09 7.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.564 -0.71 . . . . 0.0 109.159 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.14 107.33 13.85 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -79.17 136.73 37.19 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.445 ' O ' ' CG2' ' C' ' 78' ' ' THR . 8.8 t -90.41 111.78 49.2 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -92.56 -49.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.74 1.626 . . . . 0.0 114.792 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.17 -42.61 2.47 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.198 -0.939 . . . . 0.0 113.528 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.0 p90 -59.29 -49.97 75.78 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.17 -1.581 . . . . 0.0 111.757 -175.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.634 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 57.4 t30 -72.98 -41.76 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.109 -1.619 . . . . 0.0 110.635 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.01 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 110.441 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.23 -44.3 96.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.846 -1.158 . . . . 0.0 109.526 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -70.0 -39.97 75.55 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.025 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 30.1 t-105 -66.32 -39.96 89.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.824 -1.172 . . . . 0.0 109.351 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.05 -42.93 95.55 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.114 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -41.54 92.3 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.466 ' CZ3' ' CZ2' ' C' ' 86' ' ' TRP . 58.6 t90 -60.04 -49.42 77.72 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.4 -40.19 95.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 109.268 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -59.99 -46.36 89.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.307 -0.87 . . . . 0.0 110.375 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.02 -42.14 93.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.925 -1.11 . . . . 0.0 110.047 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.61 -41.96 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.961 -1.087 . . . . 0.0 108.933 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.0 -47.07 87.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.24 -40.05 93.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.784 -1.197 . . . . 0.0 109.853 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.51 -41.6 88.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.017 -1.052 . . . . 0.0 109.106 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -49.16 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.206 -0.934 . . . . 0.0 109.001 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.79 -44.16 97.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.303 -0.873 . . . . 0.0 109.26 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.582 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.2 t-20 -60.04 -48.15 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.295 -0.878 . . . . 0.0 109.507 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.0 -44.84 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.198 -0.939 . . . . 0.0 109.539 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -60.02 -42.51 94.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.63 85.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.106 -0.996 . . . . 0.0 108.816 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.96 -46.5 89.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.532 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.5 -41.08 96.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.225 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -47.91 83.87 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.204 -0.935 . . . . 0.0 109.199 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.29 -39.94 93.18 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.264 -0.898 . . . . 0.0 109.299 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.19 94.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.35 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -48.64 80.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.077 -1.014 . . . . 0.0 109.535 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.11 -46.32 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.133 -0.979 . . . . 0.0 109.263 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.498 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.907 . . . . 0.0 108.868 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.2 -42.62 95.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.577 -0.702 . . . . 0.0 109.408 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.6 -39.91 94.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.034 -1.041 . . . . 0.0 109.318 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' MET . . . . . 0.424 ' C ' ' SD ' ' C' ' 115' ' ' MET . 1.4 tmt? -69.88 -40.02 75.94 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . 0.513 ' OH ' ' NZ ' ' C' ' 120' ' ' LYS . 64.8 t80 -59.96 -47.25 86.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.399 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.03 -40.16 88.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.48 -0.763 . . . . 0.0 109.473 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.2 mt-30 -60.36 -42.61 96.12 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.109 -0.995 . . . . 0.0 109.997 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . 0.513 ' NZ ' ' OH ' ' C' ' 116' ' ' TYR . 39.8 mmtm -59.94 -38.69 83.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.963 . . . . 0.0 109.381 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 83.0 mt -59.96 -46.68 88.63 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . 0.443 HD21 HH12 ' C' ' 4' ' ' ARG . 15.3 t-20 -124.86 60.2 1.2 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.259 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' B' ' 2' ' ' GLN . 26.2 mm100 -69.69 143.87 53.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.565 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -90.56 61.42 4.89 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.249 -0.907 . . . . 0.0 109.196 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.35 -39.95 94.81 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.895 . . . . 0.0 109.332 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -60.2 -45.6 92.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.186 -0.946 . . . . 0.0 109.7 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.17 -43.13 96.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.12 -0.988 . . . . 0.0 108.96 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.76 -40.0 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.498 -0.751 . . . . 0.0 109.765 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 12' ' ' GLN . . . -59.76 -43.74 94.17 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.014 -1.054 . . . . 0.0 108.402 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -63.73 -47.23 88.46 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.625 -1.79 . . . . 0.0 108.625 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.72 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.349 -1.089 . . . . 0.0 109.446 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -47.87 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.005 -1.059 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' NE2' ' N ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -59.95 -40.0 87.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.145 -0.972 . . . . 0.0 109.692 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.48 92.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.033 . . . . 0.0 109.166 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.95 -41.17 95.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.942 -1.099 . . . . 0.0 109.142 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.08 -43.8 95.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -41.16 97.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -41.96 99.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.054 . . . . 0.0 109.327 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.0 -45.07 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.09 -47.2 86.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.06 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.42 -40.47 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.989 -1.069 . . . . 0.0 109.838 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.97 -41.54 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.17 -0.956 . . . . 0.0 108.934 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.44 -40.46 94.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.536 -0.727 . . . . 0.0 109.134 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.1 mmt180 -60.25 -40.6 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.219 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.46 -39.91 89.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.211 -0.93 . . . . 0.0 109.32 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.12 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.0 109.39 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.86 -43.84 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.23 -0.919 . . . . 0.0 109.665 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.82 -40.1 94.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.903 . . . . 0.0 109.705 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.04 -40.42 89.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.65 -40.24 91.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.9 mt -62.73 -40.54 97.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.062 -1.024 . . . . 0.0 110.041 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.495 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 62.5 p -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.928 -1.108 . . . . 0.0 109.807 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.495 ' N ' ' HG1' ' A' ' 31' ' ' THR . 55.7 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.319 -0.863 . . . . 0.0 109.102 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -60.06 -42.33 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -47.37 91.35 Favored Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.672 -1.251 . . . . 0.0 110.137 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -49.92 75.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.109 -1.23 . . . . 0.0 109.309 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 0.0 109.922 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.642 HD22 HH21 ' A' ' 41' ' ' ARG . 51.7 t-20 -59.88 -40.09 87.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.965 -1.084 . . . . 0.0 109.373 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.17 -40.14 92.76 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.03 -1.044 . . . . 0.0 109.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.92 -40.4 88.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.095 -1.003 . . . . 0.0 109.77 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 43' ' ' THR . 70.9 p -60.03 -40.17 88.44 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.642 HH21 HD22 ' A' ' 37' ' ' ASN . 27.4 mtt-85 -63.06 -40.03 96.47 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -40.88 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.247 -0.908 . . . . 0.0 108.861 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 40' ' ' THR . 63.0 p -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.5 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.12 85.22 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.422 -1.424 . . . . 0.0 108.454 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.12 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 0.0 109.689 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.04 -40.04 88.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.068 -1.02 . . . . 0.0 109.313 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.84 -39.94 95.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.384 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 44.4 m-85 -65.24 -39.19 92.38 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.04 -39.6 86.48 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.952 -1.093 . . . . 0.0 108.392 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.09 -39.92 87.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.568 -1.333 . . . . 0.0 108.291 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 54.2 t0 -60.14 -38.4 82.97 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.05 -39.89 83.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.114 -0.992 . . . . 0.0 109.187 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.02 -38.67 83.37 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 120.756 -1.215 . . . . 0.0 108.376 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.96 -40.01 87.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.802 . . . . 0.0 110.087 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.91 114.21 13.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.192 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 72.0 m-80 -133.5 -55.28 0.9 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.389 -0.82 . . . . 0.0 110.242 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' C' ' 58' ' ' TRP . . . -155.57 115.79 3.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.066 -1.021 . . . . 0.0 110.029 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.405 ' H ' ' HB3' ' B' ' 57' ' ' ALA . 90.1 m95 -102.1 118.87 37.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.364 -0.835 . . . . 0.0 110.294 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.17 27.66 73.53 Favored Glycine 0 N--CA 1.494 2.525 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.166 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 21.99 0.1 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.545 -1.562 . . . . 0.0 109.289 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.52 114.31 1.85 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.146 -0.971 . . . . 0.0 109.474 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 34.5 m-85 -115.05 11.8 16.53 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.399 -0.813 . . . . 0.0 110.524 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 51.3 mtp180 -140.09 25.46 2.29 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.935 -1.103 . . . . 0.0 108.081 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 42.2 mt-30 -141.7 152.89 44.27 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.17 56.45 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.65 156.17 40.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.493 -0.755 . . . . 0.0 109.437 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -132.02 133.24 44.21 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.02 110.1 21.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.294 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.1 t -118.43 122.79 43.63 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.675 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 85.8 t -126.56 85.7 59.88 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.528 -0.732 . . . . 0.0 109.921 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -86.95 60.82 4.08 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 C-N-CA 122.692 2.261 . . . . 0.0 111.019 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.0 t90 -69.97 135.45 87.45 Favored Pre-proline 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 109.353 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.1 Cg_exo -40.28 150.09 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.441 1.427 . . . . 0.0 110.626 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 38.5 t30 -127.31 -57.12 1.31 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.287 -0.883 . . . . 0.0 109.605 -178.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.29 126.68 35.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.027 -1.046 . . . . 0.0 108.548 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.406 ' H ' ' HG ' ' A' ' 76' ' ' SER . 10.7 p -80.93 110.75 16.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.872 -1.142 . . . . 0.0 108.043 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.4 mt -79.55 135.09 36.52 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.491 0.662 . . . . 0.0 110.243 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -93.5 113.7 60.92 Favored Pre-proline 0 N--CA 1.493 1.721 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -92.18 -48.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.744 1.629 . . . . 0.0 114.418 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.47 -43.93 2.38 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.8 p90 -60.04 -47.33 86.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.366 -1.459 . . . . 0.0 112.415 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 61.6 t30 -71.15 -45.04 64.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.012 -1.68 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.531 HD22 ' NE2' ' A' ' 87' ' ' GLN . 47.4 t30 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.051 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.12 -44.54 97.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.783 -1.198 . . . . 0.0 109.404 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.8 p -69.95 -40.07 75.68 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.853 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -69.05 -40.09 78.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.987 -1.07 . . . . 0.0 109.497 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.531 ' NE2' HD22 ' A' ' 83' ' ' ASN . 91.4 mt-30 -60.02 -41.31 91.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.687 -1.258 . . . . 0.0 108.846 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.04 -40.11 94.64 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.049 -1.032 . . . . 0.0 108.64 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.407 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.7 t90 -59.99 -50.05 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -0.785 . . . . 0.0 109.18 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -63.15 -41.76 99.34 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.15 -0.969 . . . . 0.0 109.612 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.04 -42.42 94.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.0 -42.26 93.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.836 -1.165 . . . . 0.0 108.941 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.352 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.54 -40.28 90.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.116 -0.99 . . . . 0.0 110.893 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.79 -40.05 79.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.851 -1.156 . . . . 0.0 109.755 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.38 -40.28 89.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 109.518 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.29 -44.36 95.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.964 -1.085 . . . . 0.0 109.771 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -47.4 85.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.107 -0.996 . . . . 0.0 109.417 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.519 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -59.97 -46.59 88.94 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.604 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.04 -44.69 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.259 -0.9 . . . . 0.0 109.687 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 p -60.34 -42.37 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.735 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.081 -1.012 . . . . 0.0 109.505 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.99 -45.62 92.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.434 -0.791 . . . . 0.0 109.506 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -41.59 92.39 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.164 -0.96 . . . . 0.0 109.497 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.02 -46.64 88.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.107 -0.996 . . . . 0.0 109.708 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.43 95.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.048 -1.032 . . . . 0.0 109.475 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.73 86.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.262 -0.899 . . . . 0.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.443 ' O ' ' OE1' ' A' ' 112' ' ' GLU . 94.9 mt-30 -60.79 -43.67 97.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.115 -0.991 . . . . 0.0 109.727 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.86 -39.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.926 -1.109 . . . . 0.0 109.22 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.1 tt0 -69.56 -39.98 77.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.583 -0.698 . . . . 0.0 109.936 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.99 -49.22 78.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.151 -0.968 . . . . 0.0 109.972 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.566 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.3 mp0 -60.02 -43.14 95.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.984 -1.073 . . . . 0.0 109.258 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -61.01 -41.43 96.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.058 -1.026 . . . . 0.0 110.18 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -62.37 -48.43 79.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.825 -1.172 . . . . 0.0 109.834 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.98 -39.91 95.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.094 -1.004 . . . . 0.0 109.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -60.03 -47.28 86.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.31 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.19 -40.07 96.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 109.21 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.07 -42.86 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.27 -40.03 92.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.092 -1.005 . . . . 0.0 109.666 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.49 -40.06 89.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.634 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.24 -46.92 87.19 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.77 60.54 0.9 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.46 ' H ' ' HG ' ' A' ' 123' ' ' SER . 4.4 p . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.114 -0.991 . . . . 0.0 109.225 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 25.9 mm100 -70.03 143.86 52.39 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -90.47 61.52 4.98 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.282 -0.886 . . . . 0.0 109.278 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.29 -40.02 94.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 109.404 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 t -60.29 -45.39 93.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.35 -43.26 96.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.01 -1.056 . . . . 0.0 108.76 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.55 -39.96 89.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.499 -0.75 . . . . 0.0 109.885 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' B' ' 12' ' ' GLN . . . -59.95 -43.6 94.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.131 -0.981 . . . . 0.0 108.473 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' C' ' 110' ' ' GLN . . . -63.76 -47.36 87.14 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 10' ' ' ILE . 96.5 mt -59.98 -49.71 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.407 -1.055 . . . . 0.0 109.43 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.95 -47.62 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.022 -1.049 . . . . 0.0 109.469 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 12' ' ' GLN . 0.2 OUTLIER -60.15 -40.07 88.57 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 109.501 179.412 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.96 -41.4 91.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.078 -1.014 . . . . 0.0 109.187 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -61.12 -41.07 96.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.23 -43.55 95.96 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 109.181 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -41.14 96.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.312 -0.867 . . . . 0.0 109.577 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.11 -42.3 99.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.969 . . . . 0.0 109.322 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.01 -44.88 94.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.277 -0.89 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.03 -47.25 86.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.03 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.43 -40.56 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.98 -41.2 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.115 -0.99 . . . . 0.0 109.103 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.72 -40.19 94.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.439 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.4 mmt180 -60.64 -40.54 92.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 109.064 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.51 -39.99 89.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 109.239 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -60.04 -49.12 78.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.43 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.28 -43.55 98.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.06 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 109.693 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.95 -40.53 89.32 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.388 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.65 -40.3 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.109 -0.994 . . . . 0.0 110.038 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.41 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.7 mt -62.62 -40.5 97.18 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.145 -0.972 . . . . 0.0 110.047 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.491 ' HG1' ' N ' ' B' ' 32' ' ' VAL . 64.6 p -63.04 -40.0 96.42 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.957 -1.089 . . . . 0.0 109.842 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.491 ' N ' ' HG1' ' B' ' 31' ' ' THR . 53.0 t -60.16 -40.05 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -0.905 . . . . 0.0 109.009 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -60.07 -42.28 94.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.44 -0.787 . . . . 0.0 110.214 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.31 91.61 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.141 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -49.82 76.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.057 -1.261 . . . . 0.0 109.434 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.04 -39.96 87.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.0 109.877 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.626 HD22 HH21 ' B' ' 41' ' ' ARG . 51.6 t-20 -60.02 -39.99 87.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.035 -1.041 . . . . 0.0 109.426 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.15 -40.2 92.95 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.088 -1.007 . . . . 0.0 109.857 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.95 -40.26 88.41 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.031 -1.043 . . . . 0.0 109.724 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.427 ' O ' ' OG1' ' B' ' 43' ' ' THR . 71.1 p -59.98 -40.6 89.68 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.626 HH21 HD22 ' B' ' 37' ' ' ASN . 27.5 mtt-85 -62.86 -39.91 95.84 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.83 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.18 -0.95 . . . . 0.0 108.914 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 40' ' ' THR . 62.2 p -59.94 -40.05 87.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.032 -1.043 . . . . 0.0 108.461 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.17 84.5 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.433 -1.417 . . . . 0.0 108.445 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 45' ' ' ILE . 83.7 mt -64.17 -39.92 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.507 -0.745 . . . . 0.0 109.591 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.14 -40.02 88.36 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.084 -1.01 . . . . 0.0 109.336 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.78 -40.03 95.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.827 -1.171 . . . . 0.0 109.435 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 44.8 m-85 -65.1 -39.14 92.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.052 -1.03 . . . . 0.0 109.792 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.97 -1.081 . . . . 0.0 108.386 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.582 -1.324 . . . . 0.0 108.362 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.02 -38.72 83.49 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.643 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.78 -39.98 82.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.071 -1.018 . . . . 0.0 109.122 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.643 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.97 -38.65 83.16 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 120.735 -1.228 . . . . 0.0 108.359 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.367 -0.833 . . . . 0.0 110.025 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt -74.92 113.84 12.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.251 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 72.5 m-80 -133.23 -55.36 0.91 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.454 -0.779 . . . . 0.0 110.26 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' H ' ' A' ' 58' ' ' TRP . . . -155.48 115.68 3.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.095 -1.003 . . . . 0.0 109.988 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.454 ' H ' ' HB3' ' C' ' 57' ' ' ALA . 90.1 m95 -101.99 118.94 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.424 -0.797 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.08 27.64 73.52 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.107 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 22.19 0.1 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.448 -1.619 . . . . 0.0 109.311 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -161.68 114.18 1.8 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.286 -0.884 . . . . 0.0 109.498 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.505 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 34.7 m-85 -114.98 11.74 16.58 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 110.568 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 52.2 mtp180 -140.13 25.44 2.28 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 42.0 mt-30 -141.59 152.84 44.39 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.26 56.54 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.5 156.03 40.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.532 -0.73 . . . . 0.0 109.528 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -131.75 133.3 44.64 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.21 109.96 21.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.63 -1.294 . . . . 0.0 109.331 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -118.45 122.68 43.35 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.667 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 87.1 t -126.33 85.82 59.32 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.618 -0.676 . . . . 0.0 109.869 -178.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.89 60.74 4.12 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 122.677 2.252 . . . . 0.0 110.944 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -69.98 135.54 87.43 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 121.642 -0.661 . . . . 0.0 109.25 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.7 Cg_exo -40.37 150.17 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.412 1.408 . . . . 0.0 110.506 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 38.9 t30 -127.31 -57.37 1.3 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.241 -0.912 . . . . 0.0 109.49 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.02 126.84 35.6 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.134 -0.979 . . . . 0.0 108.536 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.426 ' H ' ' HG ' ' B' ' 76' ' ' SER . 9.9 p -81.0 110.78 16.87 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.92 -1.112 . . . . 0.0 108.038 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.64 134.95 36.45 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.616 0.722 . . . . 0.0 110.272 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.6 t -93.43 113.66 60.77 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -92.17 -48.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.849 1.7 . . . . 0.0 114.379 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -121.56 -43.98 2.37 Favored 'General case' 0 N--CA 1.508 2.443 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -59.96 -47.48 85.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.345 -1.472 . . . . 0.0 112.322 -175.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 61.5 t30 -71.16 -45.02 64.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.013 -1.68 . . . . 0.0 109.991 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.525 HD22 ' NE2' ' B' ' 87' ' ' GLN . 47.4 t30 -59.97 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.849 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.32 -44.28 97.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.829 -1.169 . . . . 0.0 109.571 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 74.7 p -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.074 -1.016 . . . . 0.0 109.898 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -69.3 -39.97 77.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.04 -1.037 . . . . 0.0 109.483 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . 0.525 ' NE2' HD22 ' B' ' 83' ' ' ASN . 91.4 mt-30 -60.0 -41.48 92.18 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 120.801 -1.187 . . . . 0.0 108.854 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.0 -40.12 94.57 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.117 -0.989 . . . . 0.0 108.621 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.421 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.0 t90 -59.95 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.521 -0.737 . . . . 0.0 109.18 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -63.24 -41.84 99.14 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.334 -0.853 . . . . 0.0 109.522 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -60.08 -42.25 94.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 110.47 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.1 -42.17 94.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.702 -1.248 . . . . 0.0 108.974 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.89 -40.53 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.228 -0.92 . . . . 0.0 109.343 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.84 -40.02 91.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.132 -0.98 . . . . 0.0 110.836 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -69.0 -40.02 78.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.818 -1.176 . . . . 0.0 109.673 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.5 -40.37 89.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.119 -0.988 . . . . 0.0 109.571 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -44.27 96.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 109.832 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.48 85.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.559 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.6 t-20 -59.96 -46.53 89.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.324 -0.86 . . . . 0.0 109.667 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.4 HD11 HG22 ' B' ' 100' ' ' ILE . 89.5 mt -60.04 -44.58 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.263 -0.898 . . . . 0.0 109.716 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 37.7 p -60.54 -42.5 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.983 -1.073 . . . . 0.0 109.734 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.08 78.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 109.45 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.97 -45.59 92.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 109.728 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.08 -41.65 92.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.36 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.01 -46.84 88.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.612 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.41 -40.76 96.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.983 -1.073 . . . . 0.0 109.486 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.25 87.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.234 -0.916 . . . . 0.0 109.586 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 112' ' ' GLU . 95.1 mt-30 -60.45 -43.61 96.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 109.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.0 -39.96 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.865 -1.147 . . . . 0.0 109.212 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.0 tt0 -69.53 -39.99 77.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.528 -0.732 . . . . 0.0 109.96 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -60.03 -49.12 78.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 0.0 109.93 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 3.3 mp0 -60.07 -43.0 95.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 109.262 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -61.12 -41.46 96.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.099 -1.0 . . . . 0.0 110.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -62.46 -48.38 79.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.822 -1.174 . . . . 0.0 109.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 109.131 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -60.1 -47.16 87.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.383 -0.823 . . . . 0.0 109.303 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.12 -40.26 97.08 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.148 -0.97 . . . . 0.0 109.246 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.1 -42.84 95.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.364 -0.835 . . . . 0.0 109.887 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -61.36 -39.98 92.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.966 -1.084 . . . . 0.0 109.645 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.32 -39.99 88.99 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.434 -0.791 . . . . 0.0 109.692 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.56 -46.86 87.67 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.82 60.73 0.9 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' B' ' 123' ' ' SER . 4.3 p . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.088 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 26.1 mm100 -69.95 143.92 52.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.281 -0.887 . . . . 0.0 109.641 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -90.47 61.38 4.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.303 -0.873 . . . . 0.0 109.208 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.46 -40.03 95.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 109.417 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -60.19 -45.45 93.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.117 -0.989 . . . . 0.0 109.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.12 -43.34 95.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.905 -1.122 . . . . 0.0 108.886 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.68 -39.84 89.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 0.0 109.772 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . 0.412 ' O ' ' CD ' ' C' ' 12' ' ' GLN . . . -59.95 -43.84 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.064 -1.023 . . . . 0.0 108.471 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -63.58 -47.24 88.77 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.571 -1.811 . . . . 0.0 108.571 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.68 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.301 -1.117 . . . . 0.0 109.432 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.04 -47.92 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.965 -1.084 . . . . 0.0 109.364 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.506 ' NE2' ' N ' ' C' ' 12' ' ' GLN . 0.2 OUTLIER -59.92 -40.09 87.69 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.108 -0.995 . . . . 0.0 109.586 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.16 91.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.122 -0.986 . . . . 0.0 109.228 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -61.21 -41.14 96.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.074 -1.016 . . . . 0.0 109.157 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -43.85 95.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.356 -0.84 . . . . 0.0 109.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -40.85 96.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.29 -0.881 . . . . 0.0 109.543 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.26 -42.43 99.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.13 -0.981 . . . . 0.0 109.284 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.98 -44.93 94.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 108.774 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.02 -47.11 87.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.257 -0.902 . . . . 0.0 110.047 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.49 -40.57 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.939 -1.101 . . . . 0.0 109.838 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.98 -41.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.074 -1.016 . . . . 0.0 108.939 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.58 -40.12 93.62 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.518 -0.739 . . . . 0.0 109.213 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.519 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.61 -40.5 92.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.135 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.59 -40.05 90.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.181 -0.949 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -59.9 -49.1 79.01 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 109.503 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.47 -43.38 98.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 109.567 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.21 -40.09 94.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.354 -0.841 . . . . 0.0 109.664 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.93 -40.45 88.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.68 -40.41 92.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.298 -0.876 . . . . 0.0 110.093 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.407 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -62.64 -40.41 96.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.146 -0.971 . . . . 0.0 110.05 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.494 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 63.3 p -63.07 -40.0 96.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.989 -1.07 . . . . 0.0 109.699 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.494 ' N ' ' HG1' ' C' ' 31' ' ' THR . 53.9 t -60.12 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 108.978 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -59.91 -42.46 93.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.368 -0.832 . . . . 0.0 110.372 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.1 92.69 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.513 -1.327 . . . . 0.0 110.135 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.05 -49.89 75.86 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.961 -1.317 . . . . 0.0 109.443 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.98 -39.95 87.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 109.849 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.615 HD22 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -60.07 -39.95 87.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.082 -1.012 . . . . 0.0 109.308 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.99 -40.12 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.062 -1.024 . . . . 0.0 109.929 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.035 -1.041 . . . . 0.0 109.741 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 70.6 p -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.615 HH21 HD22 ' C' ' 37' ' ' ASN . 27.2 mtt-85 -63.16 -39.95 96.14 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -40.75 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.235 -0.915 . . . . 0.0 108.738 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.8 p -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.475 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -45.12 85.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 108.451 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.21 -40.05 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.11 -39.91 87.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.109 -0.994 . . . . 0.0 109.416 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.93 -40.03 95.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.877 -1.14 . . . . 0.0 109.436 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 44.2 m-85 -64.89 -39.29 93.29 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 109.852 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.97 -39.76 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 108.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.464 -1.397 . . . . 0.0 108.318 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' C' ' 51' ' ' ASP . 55.3 t0 -60.04 -38.33 82.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.0 108.614 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.632 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.16 -39.96 84.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.108 -0.995 . . . . 0.0 109.146 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.632 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.98 -38.7 83.34 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.79 -1.194 . . . . 0.0 108.333 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -60.01 -39.95 87.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.801 . . . . 0.0 110.041 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.83 113.99 12.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.908 -1.12 . . . . 0.0 109.162 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 72.3 m-80 -133.33 -55.45 0.91 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.459 -0.775 . . . . 0.0 110.182 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.454 ' HB3' ' H ' ' B' ' 58' ' ' TRP . . . -155.57 115.6 3.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.164 -0.96 . . . . 0.0 110.113 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.449 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 90.1 m95 -101.87 118.79 37.64 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.366 -0.834 . . . . 0.0 110.424 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.38 27.21 73.5 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.191 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.35 22.29 0.09 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.518 -1.578 . . . . 0.0 109.374 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -161.78 114.19 1.78 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.182 -0.949 . . . . 0.0 109.576 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 34.8 m-85 -115.02 12.03 16.61 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.402 -0.811 . . . . 0.0 110.54 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' B' ' 63' ' ' ARG . 51.3 mtp180 -140.25 25.3 2.27 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.505 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 42.3 mt-30 -141.61 152.86 44.38 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.21 56.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.047 . . . . 0.0 108.199 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.42 156.14 40.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.597 -0.69 . . . . 0.0 109.481 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -131.86 133.26 44.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.09 110.0 21.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.643 -1.285 . . . . 0.0 109.309 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -118.37 122.72 43.54 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.67 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 85.0 t -126.47 85.8 59.55 Favored Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.554 -0.716 . . . . 0.0 109.83 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -86.85 60.7 4.15 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 C-N-CA 122.703 2.269 . . . . 0.0 111.099 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' C' ' 73' ' ' PRO . 16.1 t90 -69.85 135.25 87.74 Favored Pre-proline 0 C--N 1.302 -1.461 0 O-C-N 121.591 -0.693 . . . . 0.0 109.352 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' C' ' 72' ' ' TRP . 99.9 Cg_exo -40.13 150.26 0.11 Allowed 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.388 1.392 . . . . 0.0 110.628 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 38.8 t30 -127.45 -57.4 1.29 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.329 -0.857 . . . . 0.0 109.58 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.04 126.74 35.56 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' SER . . . . . 0.413 ' H ' ' HG ' ' C' ' 76' ' ' SER . 9.9 p -81.08 110.83 16.97 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.865 -1.147 . . . . 0.0 107.971 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt -79.8 134.99 36.38 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.581 0.705 . . . . 0.0 110.212 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -93.47 113.47 60.28 Favored Pre-proline 0 N--CA 1.494 1.746 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -91.98 -48.17 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.705 1.603 . . . . 0.0 114.403 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -121.57 -43.91 2.37 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.172 -0.955 . . . . 0.0 113.52 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.359 -1.463 . . . . 0.0 112.39 -175.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.0 t30 -71.18 -44.98 64.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.067 -1.646 . . . . 0.0 109.986 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . 0.541 HD22 ' NE2' ' C' ' 87' ' ' GLN . 46.9 t30 -60.03 -50.02 75.37 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.182 -0.949 . . . . 0.0 109.916 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.07 -44.31 97.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.837 -1.165 . . . . 0.0 109.523 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 74.5 p -70.03 -39.96 75.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -69.34 -40.06 77.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.993 -1.067 . . . . 0.0 109.514 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . 0.541 ' NE2' HD22 ' C' ' 83' ' ' ASN . 91.6 mt-30 -60.0 -41.25 91.69 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.832 -1.168 . . . . 0.0 108.843 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.18 -40.03 94.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.038 -1.039 . . . . 0.0 108.716 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.41 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.9 t90 -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.47 -0.769 . . . . 0.0 109.123 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -63.33 -41.5 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.63 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.17 -42.42 94.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.105 -0.997 . . . . 0.0 110.403 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -59.91 -42.37 93.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.783 -1.198 . . . . 0.0 109.082 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.72 -40.92 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.335 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.55 -40.14 90.5 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.084 -1.01 . . . . 0.0 110.813 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -68.89 -39.92 79.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.941 -1.099 . . . . 0.0 109.684 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.12 -0.988 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.19 -44.0 96.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.962 -1.086 . . . . 0.0 109.75 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.24 -47.54 85.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.149 -0.969 . . . . 0.0 109.428 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.439 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.7 t-20 -60.01 -46.44 89.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.29 -0.881 . . . . 0.0 109.63 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . 0.433 HG22 HD11 ' C' ' 100' ' ' ILE . 89.7 mt -60.01 -44.71 95.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.181 -0.949 . . . . 0.0 109.712 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 37.4 p -60.55 -42.41 96.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.988 -1.07 . . . . 0.0 109.677 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -49.01 79.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.128 -0.982 . . . . 0.0 109.463 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.303 -0.873 . . . . 0.0 109.542 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.99 -41.65 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -0.924 . . . . 0.0 109.496 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.06 -46.7 88.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.151 -0.968 . . . . 0.0 109.684 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.44 -40.58 96.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.934 -1.104 . . . . 0.0 109.598 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.9 86.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' C' ' 112' ' ' GLU . 94.8 mt-30 -60.73 -43.46 97.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.096 -1.002 . . . . 0.0 109.732 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -70.0 -40.08 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.906 -1.121 . . . . 0.0 109.208 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' B' ' 9' ' ' GLY . 63.1 tt0 -69.59 -39.99 76.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.39 -0.819 . . . . 0.0 109.91 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.98 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 0.0 109.829 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 3.3 mp0 -59.95 -43.31 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.253 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.84 -41.72 96.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.158 -0.964 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -62.18 -48.42 80.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.921 -1.112 . . . . 0.0 109.931 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.7 ttp -63.77 -40.05 95.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.1 -1.0 . . . . 0.0 109.204 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.99 -47.27 86.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.803 . . . . 0.0 109.395 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.07 -39.99 96.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.138 -0.976 . . . . 0.0 109.213 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.34 -42.87 96.59 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 109.813 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.3 mt-30 -61.24 -40.27 93.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.026 -1.046 . . . . 0.0 109.624 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.05 -39.98 87.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.44 -0.787 . . . . 0.0 109.774 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.51 -46.95 87.36 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -120.7 60.51 0.9 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.571 -0.706 . . . . 0.0 109.134 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.446 ' H ' ' HG ' ' C' ' 123' ' ' SER . 4.5 p . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.272 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.3 mt-30 -69.99 144.3 52.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.088 -1.008 . . . . 0.0 109.327 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.75 57.73 4.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 108.874 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.39 -39.99 92.89 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.477 -0.764 . . . . 0.0 109.042 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 13.6 t -60.1 -45.4 93.09 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.329 -0.857 . . . . 0.0 109.557 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' A' ' 5' ' ' THR . 62.7 tp -60.34 -44.39 95.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.084 -1.01 . . . . 0.0 108.697 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.3 -40.11 89.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.412 -0.805 . . . . 0.0 109.718 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.69 56.43 Favored Glycine 0 N--CA 1.487 2.062 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.83 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -1.149 . . . . 0.0 109.604 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.45 89.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.814 -1.179 . . . . 0.0 108.697 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' CG ' HE22 ' B' ' 110' ' ' GLN . 71.1 tp60 -60.7 -40.88 93.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.453 -0.779 . . . . 0.0 109.325 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.467 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.8 tp-100 -60.26 -42.16 94.74 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.98 -40.95 90.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.044 -1.035 . . . . 0.0 109.364 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.57 -42.49 96.74 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.5 mt-30 -62.55 -41.77 99.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.79 -42.11 98.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 0.0 109.149 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.92 -43.87 94.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.31 -0.869 . . . . 0.0 109.022 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 55.3 t0 -60.0 -45.45 92.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.817 . . . . 0.0 109.842 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.07 -39.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.762 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.096 -1.003 . . . . 0.0 108.538 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 63.6 tttm -60.33 -40.72 91.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.645 -0.659 . . . . 0.0 109.703 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.673 ' HE ' ' ND2' ' B' ' 99' ' ' ASN . 10.2 mpt_? -60.01 -41.24 91.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.24 -0.912 . . . . 0.0 109.492 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.92 -39.93 87.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.887 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.97 -49.41 77.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.0 109.826 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 10.5 mp0 -63.49 -40.42 97.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.67 -1.269 . . . . 0.0 109.66 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.98 -41.65 96.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 109.682 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 31' ' ' THR . 26.1 mt -60.12 -39.98 88.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.11 -40.55 90.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.121 -0.987 . . . . 0.0 109.642 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 98.0 mt -62.03 -40.42 95.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.037 -1.039 . . . . 0.0 109.535 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 82.6 p -63.55 -40.06 96.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.715 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.96 -39.98 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 109.232 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.0 -47.67 84.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.342 -0.849 . . . . 0.0 109.977 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.83 73.67 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.06 75.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.055 -1.262 . . . . 0.0 109.898 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.63 -40.04 90.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 0.0 109.683 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.654 HD22 HH21 ' A' ' 41' ' ' ARG . 40.6 t30 -60.06 -41.04 91.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.215 -0.928 . . . . 0.0 110.105 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.92 -40.11 94.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.064 -1.023 . . . . 0.0 110.008 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.78 95.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.451 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.2 p -61.86 -40.06 94.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 108.618 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.654 HH21 HD22 ' A' ' 37' ' ' ASN . 44.9 mtt-85 -67.78 -39.92 84.03 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.46 -40.85 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.52 -0.737 . . . . 0.0 109.16 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 40' ' ' THR . 41.7 p -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 109.237 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.99 93.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 108.53 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.18 -39.93 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -39.91 87.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.77 -41.89 98.29 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.841 -1.162 . . . . 0.0 108.564 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 44.9 m-85 -64.82 -40.05 94.58 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.506 -0.747 . . . . 0.0 109.533 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.581 -1.325 . . . . 0.0 109.267 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.02 -40.2 88.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.499 -1.376 . . . . 0.0 108.014 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.32 -39.73 91.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.466 -0.771 . . . . 0.0 109.068 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.55 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -57.08 -40.01 76.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.011 -1.056 . . . . 0.0 108.349 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.73 77.83 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.23 -0.919 . . . . 0.0 108.654 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.97 -39.9 87.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.8 mt -71.31 116.45 11.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.922 -1.111 . . . . 0.0 108.761 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.528 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 33.2 m120 -133.42 -58.99 0.88 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.716 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.12 116.54 4.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.052 -1.03 . . . . 0.0 110.478 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -100.37 122.05 42.51 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.413 -0.805 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.08 26.77 72.49 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.971 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.48 23.38 0.16 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.581 -1.541 . . . . 0.0 109.594 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.78 105.92 1.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.817 -1.177 . . . . 0.0 110.677 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -104.57 11.83 33.8 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.187 -0.945 . . . . 0.0 109.372 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 60.0 mtp180 -131.78 23.63 4.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.543 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.92 152.69 35.42 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 t -102.72 57.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.15 -0.969 . . . . 0.0 108.854 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.18 158.28 42.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.391 -0.818 . . . . 0.0 109.849 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -126.14 133.3 51.64 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 t -90.46 115.47 27.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.585 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -114.22 121.62 44.28 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 98.6 t -121.99 83.97 44.57 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.584 -0.698 . . . . 0.0 109.205 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.44 62.95 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.616 2.211 . . . . 0.0 111.572 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 26.1 t90 -70.0 130.64 89.68 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.522 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.506 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 82.8 Cg_exo -41.65 148.41 0.32 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.25 1.3 . . . . 0.0 110.518 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.55 ' ND2' ' NE2' ' A' ' 52' ' ' GLN . 20.7 t-20 -130.95 -45.51 1.03 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.221 -0.925 . . . . 0.0 109.356 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.5 123.42 34.17 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.5 t -81.72 106.56 13.76 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.9 mt -81.2 134.75 35.67 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.751 0.786 . . . . 0.0 109.995 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -91.81 115.16 64.05 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -90.17 -48.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.368 1.379 . . . . 0.0 113.687 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -122.63 -43.71 2.26 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.65 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.94 -49.87 75.97 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.247 -1.533 . . . . 0.0 112.478 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.65 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 58.4 t30 -70.07 -42.56 72.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 119.901 -1.749 . . . . 0.0 109.405 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.04 -50.68 72.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 0.0 110.627 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.07 -43.0 99.78 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.3 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.411 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 68.1 p -69.56 -40.06 77.03 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.411 ' N ' ' HG1' ' A' ' 85' ' ' THR . 40.4 t-105 -67.86 -39.99 83.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.972 -1.08 . . . . 0.0 109.776 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.92 -40.88 90.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.919 -1.113 . . . . 0.0 109.057 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.29 -40.88 95.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.006 -1.059 . . . . 0.0 108.794 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.479 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.95 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.144 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.54 -39.91 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.342 -0.849 . . . . 0.0 109.616 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -63.72 -40.49 96.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.097 -1.002 . . . . 0.0 109.78 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -59.97 -43.3 95.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.99 -40.0 85.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.256 -0.903 . . . . 0.0 109.384 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.92 -40.73 94.29 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.935 . . . . 0.0 110.863 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -68.15 -39.99 82.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.802 -1.186 . . . . 0.0 109.207 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.91 -42.69 97.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.179 -0.95 . . . . 0.0 109.534 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -44.95 94.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.935 -1.103 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.62 -41.58 99.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 0.0 109.379 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.684 ' ND2' ' HE ' ' C' ' 23' ' ' ARG . 55.9 t-20 -63.56 -45.59 89.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.071 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.37 -46.22 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.389 -0.819 . . . . 0.0 109.464 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -60.06 -41.96 93.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.257 -0.902 . . . . 0.0 109.615 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.88 84.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.91 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.01 -45.25 93.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.848 . . . . 0.0 109.203 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.56 -43.57 97.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.235 -0.916 . . . . 0.0 109.511 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.94 -45.24 93.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 108.984 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -40.61 97.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.458 -0.776 . . . . 0.0 109.753 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.87 95.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.342 -0.849 . . . . 0.0 109.224 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.14 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 109.476 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.478 ' CG2' ' NZ ' ' A' ' 113' ' ' LYS . 97.9 mt -69.79 -42.87 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.208 -0.933 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 57.0 tt0 -68.42 -39.97 81.39 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.136 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -60.04 -47.16 87.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.807 . . . . 0.0 109.359 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.18 -41.34 98.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.083 -1.01 . . . . 0.0 109.362 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.478 ' NZ ' ' CG2' ' A' ' 109' ' ' ILE . 56.0 mttp -62.48 -42.96 99.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.083 -1.011 . . . . 0.0 109.839 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.34 -45.42 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.898 -1.126 . . . . 0.0 109.615 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.99 -40.04 79.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 0.0 109.005 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.02 -46.25 90.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.335 -0.853 . . . . 0.0 108.91 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.2 -40.01 88.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.233 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.16 -42.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.98 -40.01 91.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.865 . . . . 0.0 109.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.17 -39.97 88.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 109.523 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.93 -48.55 81.22 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -116.1 58.3 0.75 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.556 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.1 mt-30 -70.02 144.14 52.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.933 . . . . 0.0 109.341 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.64 57.81 4.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 108.944 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -65.36 -39.99 93.03 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.027 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.423 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.06 -45.38 93.07 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.348 -0.845 . . . . 0.0 109.511 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.3 tp -60.31 -44.6 95.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.106 -0.997 . . . . 0.0 108.645 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.28 -39.96 88.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.429 -0.794 . . . . 0.0 109.777 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.06 87.7 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.114 -0.991 . . . . 0.0 108.413 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.58 56.74 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -49.01 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.206 -1.173 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.49 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.909 -1.12 . . . . 0.0 108.76 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.58 -40.93 93.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.344 -0.848 . . . . 0.0 109.263 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.8 tp-100 -60.09 -42.09 93.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 109.952 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -40.94 91.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.976 -1.078 . . . . 0.0 109.466 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.301 -0.874 . . . . 0.0 109.24 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.5 mt-30 -62.27 -41.89 98.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.187 -0.945 . . . . 0.0 109.51 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.86 -42.04 98.57 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.179 -0.95 . . . . 0.0 109.194 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.93 -43.67 94.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.302 -0.874 . . . . 0.0 109.04 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.503 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.98 -45.7 91.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.0 109.946 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.95 -39.96 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.168 -0.958 . . . . 0.0 109.71 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.49 83.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.047 -1.033 . . . . 0.0 108.542 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 63.9 tttm -60.34 -40.77 91.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.589 -0.694 . . . . 0.0 109.79 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.67 ' HE ' ' ND2' ' C' ' 99' ' ' ASN . 10.2 mpt_? -59.99 -41.14 91.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.516 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.138 -0.977 . . . . 0.0 109.0 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -49.29 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.803 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 10.5 mp0 -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.696 -1.252 . . . . 0.0 109.682 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.09 -41.69 97.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.653 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' B' ' 31' ' ' THR . 26.1 mt -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.311 -0.868 . . . . 0.0 109.479 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -40.67 90.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.179 -0.951 . . . . 0.0 109.67 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.475 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.8 mt -61.93 -40.65 96.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.051 -1.03 . . . . 0.0 109.584 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 82.3 p -63.5 -39.98 95.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.655 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.98 -40.03 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.38 -0.825 . . . . 0.0 109.279 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -59.99 -47.41 85.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.438 -0.788 . . . . 0.0 110.111 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.64 -48.72 75.06 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.004 -1.291 . . . . 0.0 109.831 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -60.76 -40.0 90.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.116 -0.99 . . . . 0.0 109.661 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.696 HD22 HH21 ' B' ' 41' ' ' ARG . 40.9 t30 -59.95 -41.3 91.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.123 -0.986 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.82 -40.11 94.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.032 -1.043 . . . . 0.0 109.977 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.87 95.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 109.195 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.8 p -61.88 -39.97 93.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.115 -0.99 . . . . 0.0 108.717 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.696 HH21 HD22 ' B' ' 37' ' ' ASN . 44.6 mtt-85 -67.69 -40.06 84.38 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.52 -40.69 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.433 -0.792 . . . . 0.0 109.184 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 42.4 p -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.043 . . . . 0.0 109.301 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.0 93.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 108.569 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.2 -39.91 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -40.11 87.95 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.436 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.832 -1.168 . . . . 0.0 108.645 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.1 m-85 -64.67 -40.01 94.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.457 -0.777 . . . . 0.0 109.536 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.639 -1.288 . . . . 0.0 109.205 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.483 -1.386 . . . . 0.0 108.132 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -61.3 -39.98 92.47 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.537 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -56.95 -40.0 75.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 108.406 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.68 77.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 108.651 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.02 -39.98 87.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.412 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.29 116.56 11.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.908 -1.12 . . . . 0.0 108.692 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 33.2 m120 -133.34 -59.25 0.87 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.32 -0.862 . . . . 0.0 110.746 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.86 116.31 4.38 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.077 -1.014 . . . . 0.0 110.356 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.403 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 78.2 m95 -100.2 122.35 42.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.492 -0.755 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.86 26.69 72.27 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.079 -1.058 . . . . 0.0 111.047 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.75 23.69 0.16 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.666 -1.491 . . . . 0.0 109.574 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.13 105.04 1.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.82 -1.175 . . . . 0.0 110.676 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -103.67 11.69 35.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.472 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 60.3 mtp180 -131.48 23.57 4.75 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.547 ' N ' HE21 ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.7 152.83 35.98 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.359 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -102.72 57.76 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.101 -0.999 . . . . 0.0 108.779 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.19 158.4 42.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.802 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.25 133.14 51.55 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.0 t -90.48 115.32 27.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.764 -1.21 . . . . 0.0 109.62 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -113.97 121.73 44.78 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.544 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 97.9 t -122.21 84.08 46.01 Favored Pre-proline 0 N--CA 1.494 1.737 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -84.92 63.31 6.28 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 122.622 2.215 . . . . 0.0 111.527 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 25.9 t90 -70.0 130.48 89.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.405 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.501 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.6 Cg_exo -41.55 148.37 0.3 Allowed 'Trans proline' 0 N--CA 1.487 1.116 0 C-N-CA 121.27 1.313 . . . . 0.0 110.506 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.6 t-20 -130.83 -45.54 1.05 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.286 -0.884 . . . . 0.0 109.397 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.44 123.24 33.99 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -81.71 107.0 14.09 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.69 134.82 35.51 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.752 0.787 . . . . 0.0 110.0 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -91.69 115.04 63.78 Favored Pre-proline 0 C--N 1.3 -1.583 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -89.93 -48.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.387 1.391 . . . . 0.0 113.795 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.65 -43.72 2.26 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.9 p90 -59.99 -49.83 76.15 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 112.604 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.7 t30 -69.97 -42.44 73.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 119.951 -1.718 . . . . 0.0 109.35 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.99 -50.9 71.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 0.0 110.685 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.75 -43.07 99.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.87 -1.143 . . . . 0.0 109.341 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 72.4 p -69.77 -40.06 76.3 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.347 -0.846 . . . . 0.0 109.596 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.413 ' N ' ' HG1' ' B' ' 85' ' ' THR . 41.0 t-105 -67.68 -39.95 84.45 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.09 -40.81 90.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.892 -1.13 . . . . 0.0 109.077 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.47 -40.68 95.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.018 -1.051 . . . . 0.0 108.702 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.474 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.322 -0.861 . . . . 0.0 109.115 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.214 -0.929 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.4 -40.6 97.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.87 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -60.04 -43.07 95.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.393 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.97 -40.05 85.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.349 -0.844 . . . . 0.0 109.384 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -61.04 -40.62 94.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.178 -0.951 . . . . 0.0 110.796 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.746 -1.221 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.77 -42.85 97.7 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.127 -0.983 . . . . 0.0 109.467 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -44.77 94.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.988 -1.07 . . . . 0.0 109.688 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.71 -41.05 98.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.142 -0.974 . . . . 0.0 109.343 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.673 ' ND2' ' HE ' ' A' ' 23' ' ' ARG . 56.0 t-20 -64.14 -45.56 88.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.161 -0.962 . . . . 0.0 109.042 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.41 HG22 HD11 ' B' ' 100' ' ' ILE . 97.5 mt -60.19 -46.35 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.449 -0.782 . . . . 0.0 109.514 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -60.06 -41.83 93.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -0.937 . . . . 0.0 109.496 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.319 -0.863 . . . . 0.0 108.908 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.96 -45.48 92.54 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.321 -0.862 . . . . 0.0 109.051 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.34 -43.64 96.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.0 -45.12 93.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 109.015 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.82 -40.56 97.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.41 -0.806 . . . . 0.0 109.802 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.85 95.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.306 -0.871 . . . . 0.0 109.23 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -60.95 -43.11 99.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.484 ' CG2' ' NZ ' ' B' ' 113' ' ' LYS . 97.4 mt -69.75 -42.74 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.27 -0.893 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.441 HE22 ' CG ' ' A' ' 12' ' ' GLN . 56.7 tt0 -68.67 -39.95 80.39 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.403 -0.81 . . . . 0.0 109.065 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.01 -46.41 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.409 -0.807 . . . . 0.0 109.396 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.21 -40.78 98.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.161 -0.962 . . . . 0.0 109.324 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.484 ' NZ ' ' CG2' ' B' ' 109' ' ' ILE . 55.6 mttp -62.8 -43.33 99.09 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.846 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.74 -45.83 92.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.84 -39.94 79.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.025 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.0 -45.72 91.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.343 -0.848 . . . . 0.0 108.91 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.72 -40.06 90.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.929 . . . . 0.0 109.215 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.01 -42.42 94.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.94 -40.01 91.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.16 -40.01 88.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 109.479 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.93 -48.38 81.94 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -116.18 58.32 0.75 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.4 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.5 t . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.659 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.2 mt-30 -70.34 144.33 51.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.282 -0.886 . . . . 0.0 109.368 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -88.62 57.94 4.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.05 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.61 -39.96 92.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.477 -0.764 . . . . 0.0 109.126 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.435 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 13.2 t -60.16 -45.49 92.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.298 -0.876 . . . . 0.0 109.452 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' C' ' 5' ' ' THR . 63.1 tp -60.03 -44.78 94.4 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.078 -1.014 . . . . 0.0 108.706 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.2 -39.99 88.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.366 -0.834 . . . . 0.0 109.835 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.02 87.8 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 108.304 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.88 -45.63 56.66 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 108.832 -1.707 . . . . 0.0 108.832 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.74 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.258 -1.143 . . . . 0.0 109.664 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.57 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.99 -1.069 . . . . 0.0 108.777 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -60.64 -40.79 93.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.476 -0.765 . . . . 0.0 109.376 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.8 tp-100 -60.22 -41.91 94.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.275 -0.891 . . . . 0.0 109.928 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.39 -40.83 92.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.044 -1.035 . . . . 0.0 109.373 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.47 -42.89 97.13 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.213 -0.929 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.5 mt-30 -62.12 -42.24 99.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 109.512 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -42.23 98.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.32 -0.862 . . . . 0.0 109.169 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.99 -43.65 95.02 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.4 -0.813 . . . . 0.0 108.942 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . 0.492 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.8 t0 -60.05 -45.64 92.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.392 -0.817 . . . . 0.0 109.896 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.96 -40.07 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.085 -1.01 . . . . 0.0 109.682 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.99 -40.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.065 -1.022 . . . . 0.0 108.566 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.464 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 63.7 tttm -60.46 -40.71 92.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.576 -0.703 . . . . 0.0 109.692 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.684 ' HE ' ' ND2' ' A' ' 99' ' ' ASN . 10.2 mpt_? -59.96 -41.16 91.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.218 -0.926 . . . . 0.0 109.503 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.135 -0.978 . . . . 0.0 108.948 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.06 -49.31 78.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 10.3 mp0 -63.52 -40.16 96.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.684 -1.26 . . . . 0.0 109.703 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.1 -41.76 97.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.0 109.646 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.433 ' O ' ' OG1' ' C' ' 31' ' ' THR . 26.1 mt -59.96 -40.0 87.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 109.505 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.14 -40.49 90.01 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.147 -0.971 . . . . 0.0 109.672 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.479 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 98.1 mt -62.22 -40.25 95.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.046 -1.034 . . . . 0.0 109.586 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 81.4 p -63.8 -40.04 95.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.79 -40.05 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.21 -0.931 . . . . 0.0 109.279 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.96 -47.51 85.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 0.0 110.044 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.57 -48.83 73.88 Favored Glycine 0 N--CA 1.486 2.016 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.95 75.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.036 -1.273 . . . . 0.0 109.837 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.82 -40.05 91.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.091 -1.006 . . . . 0.0 109.64 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.694 HD22 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.01 -41.24 91.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.197 -0.939 . . . . 0.0 109.991 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -40.24 94.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.998 -1.064 . . . . 0.0 110.027 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -59.98 -42.5 94.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.087 -1.008 . . . . 0.0 109.279 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.439 ' O ' ' OG1' ' C' ' 43' ' ' THR . 64.8 p -62.25 -39.97 94.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.111 -0.993 . . . . 0.0 108.651 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.694 HH21 HD22 ' C' ' 37' ' ' ASN . 44.6 mtt-85 -67.66 -39.99 84.5 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.28 -40.97 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.373 -0.829 . . . . 0.0 109.18 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 40' ' ' THR . 43.5 p -60.01 -39.94 87.52 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.079 -1.013 . . . . 0.0 109.238 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.99 93.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.935 -1.103 . . . . 0.0 108.447 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.21 -39.91 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.179 -0.951 . . . . 0.0 109.454 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.55 -41.89 98.03 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.922 -1.111 . . . . 0.0 108.648 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -65.03 -39.99 94.18 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.519 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.557 -1.339 . . . . 0.0 109.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.01 -40.09 88.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.527 -1.358 . . . . 0.0 108.064 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -61.34 -39.9 92.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.508 -0.745 . . . . 0.0 109.159 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.536 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -57.05 -40.1 76.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.901 -1.124 . . . . 0.0 108.364 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.64 77.6 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.312 -0.868 . . . . 0.0 108.699 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.05 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.26 116.5 11.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.986 -1.071 . . . . 0.0 108.677 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 33.4 m120 -133.54 -58.86 0.87 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.315 -0.866 . . . . 0.0 110.684 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -153.95 116.33 4.36 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.155 -0.966 . . . . 0.0 110.403 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -100.27 121.78 42.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.445 -0.785 . . . . 0.0 110.307 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 66.32 26.84 72.71 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.981 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -76.66 23.66 0.16 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.66 -1.494 . . . . 0.0 109.653 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.01 105.85 1.57 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.794 -1.191 . . . . 0.0 110.621 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -104.41 11.69 34.28 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.154 -0.966 . . . . 0.0 109.444 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.481 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 60.0 mtp180 -131.5 23.68 4.75 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.562 ' N ' HE21 ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.97 152.7 35.38 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.433 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.79 58.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.027 -1.046 . . . . 0.0 108.835 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.31 158.4 42.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.461 -0.774 . . . . 0.0 109.8 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.1 133.11 51.75 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 7.1 t -90.35 115.16 27.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.834 -1.166 . . . . 0.0 109.6 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.0 t -114.2 121.63 44.31 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.551 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 98.2 t -122.04 84.15 45.0 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.68 63.05 6.45 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.629 2.219 . . . . 0.0 111.507 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.2 t90 -70.04 130.48 89.76 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.433 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.503 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.9 Cg_exo -41.35 148.33 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.265 1.31 . . . . 0.0 110.489 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 20.3 t-20 -130.92 -45.31 1.04 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.229 -0.919 . . . . 0.0 109.368 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 123.39 34.18 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 38.5 t -81.6 106.5 13.6 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.31 134.9 35.65 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.767 0.794 . . . . 0.0 109.895 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -91.84 115.32 64.36 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -90.23 -48.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.358 1.372 . . . . 0.0 113.805 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.55 -43.73 2.27 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.93 -49.78 76.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.388 -1.445 . . . . 0.0 112.552 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 57.7 t30 -70.08 -42.64 72.51 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 119.888 -1.757 . . . . 0.0 109.384 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -60.11 -50.53 73.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.334 -0.854 . . . . 0.0 110.639 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.87 -43.24 99.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.181 . . . . 0.0 109.342 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' THR . . . . . 0.412 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 68.6 p -69.66 -39.99 76.72 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 109.464 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.412 ' N ' ' HG1' ' C' ' 85' ' ' THR . 40.2 t-105 -67.82 -40.02 83.84 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.944 -1.097 . . . . 0.0 109.727 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -59.96 -41.02 91.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.798 -1.189 . . . . 0.0 109.088 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.14 -40.96 95.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.036 -1.04 . . . . 0.0 108.782 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.475 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.5 t90 -59.95 -50.0 75.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.373 -0.829 . . . . 0.0 109.122 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -40.1 95.01 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.548 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.37 -40.54 97.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.912 . . . . 0.0 109.911 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -59.96 -43.44 95.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.971 -1.081 . . . . 0.0 109.299 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -40.0 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.81 -40.58 93.25 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.0 110.826 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.57 -39.97 80.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.698 -1.251 . . . . 0.0 109.279 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.72 -42.67 97.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.215 -0.928 . . . . 0.0 109.501 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.17 -45.09 94.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.606 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.46 -41.49 98.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.16 -0.962 . . . . 0.0 109.37 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.67 ' ND2' ' HE ' ' B' ' 23' ' ' ARG . 55.6 t-20 -63.7 -45.6 89.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.164 -0.96 . . . . 0.0 109.075 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -46.34 94.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.455 -0.778 . . . . 0.0 109.528 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 35.9 p -60.04 -41.89 93.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.525 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.05 83.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.863 . . . . 0.0 108.961 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.01 -45.42 92.82 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 109.087 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.42 -43.5 96.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 109.572 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.05 -45.15 93.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.194 -0.941 . . . . 0.0 108.896 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.71 -40.4 97.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.462 -0.774 . . . . 0.0 109.762 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.7 94.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.264 -0.897 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.12 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.274 -0.891 . . . . 0.0 109.461 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.476 ' CG2' ' NZ ' ' C' ' 113' ' ' LYS . 97.4 mt -69.8 -43.12 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.253 -0.904 . . . . 0.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 56.9 tt0 -68.22 -40.1 82.18 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.446 -0.784 . . . . 0.0 109.056 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -59.91 -47.08 87.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -0.828 . . . . 0.0 109.351 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.38 -41.52 98.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.04 -1.037 . . . . 0.0 109.392 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . 0.476 ' NZ ' ' CG2' ' C' ' 109' ' ' ILE . 55.4 mttp -62.13 -43.35 99.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.0 109.913 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.81 -45.83 92.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.876 -1.14 . . . . 0.0 109.615 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.8 -39.94 79.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.014 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.03 -45.95 91.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 108.892 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.52 -40.03 89.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.287 -0.883 . . . . 0.0 109.153 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.05 -42.6 94.83 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.76 -40.06 91.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 109.411 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.02 -39.96 87.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -0.808 . . . . 0.0 109.714 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.87 -48.33 82.14 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -116.34 58.24 0.75 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.608 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.8 mt-30 -70.1 144.29 52.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.0 109.572 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.52 59.37 5.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.007 . . . . 0.0 109.135 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.82 -39.95 91.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.043 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.432 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.08 -41.75 93.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.168 -0.957 . . . . 0.0 109.469 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.98 -45.55 92.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.124 -0.985 . . . . 0.0 108.357 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.5 mt -60.06 -39.46 86.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.685 -0.634 . . . . 0.0 109.379 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.58 88.32 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.79 -45.9 71.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.53 -46.31 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -1.075 . . . . 0.0 109.904 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -42.43 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.997 -1.065 . . . . 0.0 108.882 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.47 -39.87 94.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 109.569 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -59.95 -43.07 95.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.855 . . . . 0.0 109.306 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -61.61 -40.83 96.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.998 -1.064 . . . . 0.0 109.461 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.01 -42.54 94.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.385 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.76 -40.58 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.881 . . . . 0.0 109.704 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.26 -40.66 98.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.158 -0.963 . . . . 0.0 109.196 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.18 -43.26 96.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.254 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.02 -47.46 85.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.262 -0.899 . . . . 0.0 109.932 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.01 -40.09 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 0.0 109.212 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -41.71 87.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.78 -40.01 94.56 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 31.8 mmt180 -60.19 -40.63 90.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.178 -0.951 . . . . 0.0 109.149 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -60.05 -48.7 80.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.26 -42.02 99.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.928 -1.107 . . . . 0.0 109.453 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.64 -40.78 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.116 -0.99 . . . . 0.0 109.125 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.0 -40.15 88.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.307 -0.87 . . . . 0.0 109.549 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.2 mtt-85 -60.96 -40.26 92.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.501 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.8 mt -63.22 -39.97 96.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.0 109.425 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.3 p -65.95 -39.96 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.6 t -60.79 -41.02 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.92 -41.58 92.05 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.351 -0.843 . . . . 0.0 109.766 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.0 -45.85 93.28 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -59.97 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.321 . . . . 0.0 108.864 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -61.88 -40.01 93.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.118 -0.989 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.01 -40.57 89.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.51 -40.01 89.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.128 -0.983 . . . . 0.0 108.876 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.68 89.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.207 -0.933 . . . . 0.0 109.535 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 p -60.51 -42.63 96.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.062 -1.024 . . . . 0.0 109.47 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.562 HH22 ' CG ' ' B' ' 82' ' ' ASN . 39.6 mtt-85 -64.09 -39.97 95.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.96 -42.96 96.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.77 -0.581 . . . . 0.0 109.604 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 p -60.06 -40.27 88.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.0 109.781 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.7 94.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.07 -1.019 . . . . 0.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -60.07 -39.31 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.704 -0.622 . . . . 0.0 109.538 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.5 -40.06 85.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.114 -0.991 . . . . 0.0 109.079 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -64.73 -40.67 95.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.783 -1.198 . . . . 0.0 109.122 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.597 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 61.5 m-85 -70.0 -38.53 76.0 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.208 -0.932 . . . . 0.0 109.168 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.908 -1.12 . . . . 0.0 109.138 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -60.09 -40.12 88.48 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.838 -1.164 . . . . 0.0 108.325 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.444 -0.785 . . . . 0.0 109.809 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.597 ' NE2' ' O ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -59.13 -39.79 83.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.661 -1.274 . . . . 0.0 108.807 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.39 -39.34 83.07 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -39.4 85.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 108.917 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.72 117.11 9.19 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 29.9 m120 -132.8 -64.16 0.76 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.446 -0.784 . . . . 0.0 110.312 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.788 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.56 117.05 3.98 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.124 -0.985 . . . . 0.0 109.838 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.798 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 90.0 m95 -99.61 128.74 45.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.326 -0.859 . . . . 0.0 110.095 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.39 20.47 65.53 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.491 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.45 23.6 0.11 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.617 -1.52 . . . . 0.0 109.011 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.69 106.77 2.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.658 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CB ' HE22 ' B' ' 64' ' ' GLN . 40.0 m-85 -120.0 11.68 11.79 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 23.6 ttt180 -138.27 22.13 2.77 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.548 HE22 ' CB ' ' C' ' 62' ' ' PHE . 29.9 mp0 -149.23 152.09 35.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.987 -1.071 . . . . 0.0 108.445 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.87 58.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.48 157.54 43.14 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.582 -0.699 . . . . 0.0 109.391 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -129.06 132.46 47.45 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -90.81 113.09 25.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.823 -1.173 . . . . 0.0 109.683 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 69' ' ' THR . 9.9 t -113.51 122.44 47.28 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 79.8 t -129.49 83.0 66.29 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.467 -0.77 . . . . 0.0 109.946 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.38 62.6 5.76 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.71 2.273 . . . . 0.0 111.165 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.3 t90 -68.81 132.16 90.82 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 76.9 Cg_exo -38.27 149.76 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.652 1.568 . . . . 0.0 111.184 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.609 ' C ' HD21 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -129.05 -57.13 1.17 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.346 -0.846 . . . . 0.0 109.148 -178.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 124.04 34.7 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.37 107.93 15.41 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.81 136.26 34.7 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.533 0.682 . . . . 0.0 110.325 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.51 110.36 50.51 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.773 -0.579 . . . . 0.0 109.734 179.459 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -93.66 -47.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.493 1.462 . . . . 0.0 113.542 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -121.71 -47.73 2.19 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.429 -0.794 . . . . 0.0 112.667 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.711 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.4 p90 -60.06 -58.16 9.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.455 -1.403 . . . . 0.0 112.558 -176.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.8 OUTLIER -79.69 -39.86 30.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.225 -1.547 . . . . 0.0 109.644 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.94 -48.69 80.67 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.186 -0.947 . . . . 0.0 109.819 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.87 -44.67 96.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.035 -1.041 . . . . 0.0 109.745 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 81' ' ' TRP . 46.8 p -61.91 -40.01 93.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.087 -1.008 . . . . 0.0 109.721 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.05 -40.0 91.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.071 . . . . 0.0 109.53 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.902 -1.124 . . . . 0.0 108.666 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HG2' ' HZ2' ' A' ' 92' ' ' LYS . 87.2 tt0 -60.11 -41.77 93.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.219 -0.925 . . . . 0.0 108.652 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.2 t90 -59.93 -49.8 76.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.607 -0.683 . . . . 0.0 109.445 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.0 95.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.16 -0.963 . . . . 0.0 109.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -41.85 93.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.191 -0.943 . . . . 0.0 110.605 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.485 ' HZ2' ' HG2' ' A' ' 88' ' ' GLU . 53.3 mttp -60.08 -42.14 93.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.941 -1.099 . . . . 0.0 109.52 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.15 -40.41 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.159 -0.963 . . . . 0.0 108.713 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.98 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.957 -1.089 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -40.06 87.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.113 -0.992 . . . . 0.0 109.128 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.11 -47.62 85.15 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.305 -0.872 . . . . 0.0 109.439 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.01 -45.72 91.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.745 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.498 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.05 -43.4 95.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.13 -46.01 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.05 -1.031 . . . . 0.0 109.543 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.4 p -62.52 -41.1 98.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.08 -1.013 . . . . 0.0 109.699 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.78 76.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.185 -0.947 . . . . 0.0 109.783 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.99 -42.62 98.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.204 -0.935 . . . . 0.0 109.753 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.97 -44.46 94.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 0.0 109.049 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.0 -47.72 84.66 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.114 -0.991 . . . . 0.0 108.762 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.47 -40.17 96.4 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.424 -0.798 . . . . 0.0 109.519 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.36 96.42 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.088 -1.008 . . . . 0.0 109.208 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -59.97 -49.0 79.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.2 -0.937 . . . . 0.0 109.621 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.97 -49.63 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.368 -0.832 . . . . 0.0 109.207 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.67 -40.07 94.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.02 -46.19 90.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 0.0 109.661 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.19 -40.91 94.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -61.87 -40.59 95.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.0 110.0 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.03 -43.37 98.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.011 -1.055 . . . . 0.0 109.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.72 -39.99 88.22 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.0 108.674 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.98 -49.65 76.85 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.62 -0.675 . . . . 0.0 109.533 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.2 -39.94 88.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.028 . . . . 0.0 109.478 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.45 -41.15 93.49 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.369 -0.832 . . . . 0.0 109.785 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -62.34 -41.37 98.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.104 -0.997 . . . . 0.0 109.933 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.51 -38.38 84.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.7 61.78 1.4 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.492 -0.755 . . . . 0.0 109.39 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.851 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 96.8 mt-30 -70.14 144.33 52.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.62 59.56 5.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.065 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.8 -40.01 91.48 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.469 -0.769 . . . . 0.0 109.138 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.433 ' H ' HG22 ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.02 -42.02 93.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.277 -0.89 . . . . 0.0 109.506 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.0 -45.21 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.15 -0.969 . . . . 0.0 108.462 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.0 -39.9 87.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.693 -0.629 . . . . 0.0 109.399 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.72 87.81 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.68 -45.92 72.39 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.6 -46.4 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -1.057 . . . . 0.0 109.886 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -42.41 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.076 -1.015 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.55 -39.77 94.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 109.555 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.851 . . . . 0.0 109.316 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -61.78 -40.73 96.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.445 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.06 -42.46 94.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.211 -0.93 . . . . 0.0 109.416 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -63.93 -40.4 96.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.314 -0.866 . . . . 0.0 109.634 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.34 -40.77 98.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.153 -0.967 . . . . 0.0 109.187 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.33 -0.856 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -47.35 86.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.295 -0.878 . . . . 0.0 109.879 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.049 -1.032 . . . . 0.0 109.296 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -41.96 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.53 -40.1 94.99 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.487 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 31.9 mmt180 -60.17 -40.66 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.106 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.244 -0.91 . . . . 0.0 109.205 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -59.98 -48.19 82.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 109.671 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.88 -41.55 97.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.071 -1.018 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.07 -40.45 95.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.225 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.07 -40.51 89.74 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.333 -0.854 . . . . 0.0 109.461 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.452 ' HG2' HH11 ' B' ' 29' ' ' ARG . 43.0 mtt-85 -60.56 -40.73 92.69 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.109 -0.994 . . . . 0.0 109.571 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.77 -40.22 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.163 -0.961 . . . . 0.0 109.422 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -65.88 -39.99 91.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.962 . . . . 0.0 109.55 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.67 -41.12 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.235 -0.916 . . . . 0.0 109.099 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.274 -0.891 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.3 -45.76 93.8 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.318 . . . . 0.0 108.842 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 109.23 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -40.96 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 0.0 110.158 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.07 -40.04 88.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.142 -0.974 . . . . 0.0 108.94 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.01 -40.64 89.98 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.582 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.7 p -60.46 -42.6 96.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.053 -1.029 . . . . 0.0 109.514 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.535 HH22 ' CG ' ' C' ' 82' ' ' ASN . 40.3 mtt-85 -64.31 -40.04 95.13 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -61.55 -43.47 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 23.6 p -59.97 -40.09 87.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.066 -1.021 . . . . 0.0 109.76 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.985 -1.072 . . . . 0.0 108.402 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.13 -39.29 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.701 -0.624 . . . . 0.0 109.527 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.139 -0.976 . . . . 0.0 109.111 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.39 -41.08 96.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.717 -1.24 . . . . 0.0 109.028 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.59 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 62.1 m-85 -70.02 -38.37 75.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.18 -0.95 . . . . 0.0 109.201 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.01 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.742 -1.224 . . . . 0.0 109.066 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.1 -40.06 88.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.812 -1.18 . . . . 0.0 108.268 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.477 -0.764 . . . . 0.0 109.808 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' B' ' 48' ' ' TYR . 0.2 OUTLIER -59.11 -40.04 84.14 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.566 -1.334 . . . . 0.0 108.79 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.43 81.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.809 -1.182 . . . . 0.0 107.811 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -39.43 85.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 108.885 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.71 117.16 9.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.977 -1.077 . . . . 0.0 108.216 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 30.4 m120 -132.74 -63.96 0.76 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.387 -0.821 . . . . 0.0 110.37 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.82 116.97 3.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.099 -1.001 . . . . 0.0 109.815 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.826 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.6 m95 -99.55 128.61 45.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 64.47 20.55 65.78 Favored Glycine 0 N--CA 1.491 2.333 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.51 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.49 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.47 23.7 0.11 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.645 -1.503 . . . . 0.0 108.987 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.9 106.67 2.26 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.559 ' CB ' HE22 ' C' ' 64' ' ' GLN . 39.2 m-85 -119.91 11.54 11.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 24.0 ttt180 -138.05 22.37 2.82 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLN . . . . . 0.581 HE22 ' CB ' ' A' ' 62' ' ' PHE . 29.9 mp0 -149.67 152.11 34.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.935 -1.103 . . . . 0.0 108.332 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.89 58.15 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.059 -1.026 . . . . 0.0 108.251 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.67 157.43 42.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.43 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -128.84 132.53 47.79 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.63 113.08 25.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.784 -1.198 . . . . 0.0 109.616 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 69' ' ' THR . 9.8 t -113.65 122.39 47.02 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.526 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 78.8 t -129.6 83.11 65.66 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.5 -0.75 . . . . 0.0 109.903 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -85.44 62.63 5.71 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.787 2.325 . . . . 0.0 111.061 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -68.77 132.22 90.85 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' B' ' 72' ' ' TRP . 78.5 Cg_exo -38.26 149.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.634 1.556 . . . . 0.0 111.248 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.619 ' C ' HD21 ' B' ' 74' ' ' ASN . 0.2 OUTLIER -129.26 -56.99 1.16 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.389 -0.819 . . . . 0.0 109.216 -178.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.76 124.13 34.88 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.4 t -82.34 107.68 15.2 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.9 mt -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.583 0.706 . . . . 0.0 110.286 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -95.3 110.25 49.5 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.768 -0.582 . . . . 0.0 109.733 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -93.69 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.492 1.461 . . . . 0.0 113.504 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -121.69 -47.71 2.19 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.412 -0.805 . . . . 0.0 112.607 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.713 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.1 p90 -60.12 -58.04 10.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.493 -1.379 . . . . 0.0 112.599 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.713 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.8 OUTLIER -79.79 -39.96 29.7 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.155 -1.59 . . . . 0.0 109.655 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.0 -48.73 80.5 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.693 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.65 -44.82 95.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.93 -1.106 . . . . 0.0 109.7 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.463 HG23 ' O ' ' B' ' 81' ' ' TRP . 48.1 p -61.89 -40.03 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.06 -1.025 . . . . 0.0 109.755 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -61.19 -40.0 92.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.965 -1.085 . . . . 0.0 109.523 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.06 -41.14 91.69 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.945 -1.097 . . . . 0.0 108.699 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.442 ' HG2' ' HZ2' ' B' ' 92' ' ' LYS . 87.3 tt0 -60.21 -41.57 93.32 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.501 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 68.7 t90 -60.02 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.511 -0.743 . . . . 0.0 109.328 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -43.03 95.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 0.0 109.825 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -41.77 92.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.193 -0.942 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.442 ' HZ2' ' HG2' ' B' ' 88' ' ' GLU . 53.1 mttp -60.08 -42.3 94.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.921 -1.112 . . . . 0.0 109.479 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.94 -40.54 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.098 -1.001 . . . . 0.0 108.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.05 -49.31 78.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.476 -0.765 . . . . 0.0 109.908 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -60.09 -46.37 89.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.97 -1.081 . . . . 0.0 109.817 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.05 -40.06 87.05 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.081 -1.012 . . . . 0.0 109.157 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.19 -47.25 86.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.452 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.24 -45.71 92.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 109.683 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.458 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.0 -43.83 94.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.0 -45.94 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.062 -1.024 . . . . 0.0 109.635 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 47.8 p -62.7 -40.79 98.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.048 -1.032 . . . . 0.0 109.601 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.82 75.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.92 . . . . 0.0 109.78 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.9 -42.7 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.04 -44.29 94.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 109.078 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.01 -47.42 85.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.146 -0.971 . . . . 0.0 108.806 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.88 -40.23 96.04 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.388 -0.82 . . . . 0.0 109.49 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.4 96.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 0.0 109.213 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.97 -49.27 78.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.487 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.98 -49.31 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.203 -0.936 . . . . 0.0 109.176 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.81 -40.17 94.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.082 -1.011 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -60.0 -45.25 93.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 0.0 109.698 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.34 -40.02 89.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 109.549 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.79 -40.04 96.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.49 -42.81 98.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.0 109.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -67.26 -40.01 86.16 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.221 -0.924 . . . . 0.0 108.598 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.0 -49.41 77.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.653 -0.654 . . . . 0.0 109.493 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -39.97 89.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.123 -0.986 . . . . 0.0 109.46 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.31 -41.0 92.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.824 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.6 mt-30 -62.62 -41.3 98.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 109.958 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.49 -38.11 83.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.244 -0.91 . . . . 0.0 109.398 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.55 -47.68 84.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.61 61.72 1.4 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.565 -0.709 . . . . 0.0 109.321 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.461 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.84 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -70.3 144.32 51.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.0 109.416 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -88.42 59.28 5.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.17 -0.956 . . . . 0.0 109.158 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.65 -40.01 92.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.46 -0.775 . . . . 0.0 109.036 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -42.13 93.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.275 -0.891 . . . . 0.0 109.484 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.96 -45.32 93.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 108.374 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.611 -0.681 . . . . 0.0 109.433 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.61 88.29 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.61 -46.09 71.65 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.35 -46.43 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -1.095 . . . . 0.0 109.995 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.06 -42.39 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.113 -0.992 . . . . 0.0 108.85 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.46 -39.8 94.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.488 -0.758 . . . . 0.0 109.557 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -59.94 -43.24 95.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.344 -0.848 . . . . 0.0 109.322 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -61.39 -40.82 95.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.026 -1.046 . . . . 0.0 109.431 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.08 -42.13 93.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.486 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.21 -39.94 95.03 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.881 . . . . 0.0 109.643 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.87 -40.66 97.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.166 -0.959 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.14 -43.09 95.96 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.332 -0.855 . . . . 0.0 109.318 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.95 -47.75 84.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.851 . . . . 0.0 109.924 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.98 -40.0 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.212 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -41.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -64.69 -39.96 94.56 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.498 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 31.9 mmt180 -60.37 -40.53 91.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 109.084 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.0 109.26 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -59.99 -48.3 82.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.58 -41.7 98.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.115 -0.991 . . . . 0.0 109.469 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.03 -40.47 95.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.052 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.25 -40.27 89.72 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.564 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.443 ' HG2' HH11 ' C' ' 29' ' ' ARG . 43.1 mtt-85 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.126 -0.984 . . . . 0.0 109.549 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.539 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.9 mt -63.11 -40.02 96.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 109.455 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -66.16 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.536 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.6 -41.05 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.339 -0.85 . . . . 0.0 109.137 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.339 -0.851 . . . . 0.0 109.712 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.83 -45.85 93.05 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 40.1 m -60.03 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.988 -1.301 . . . . 0.0 108.745 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -62.09 -39.98 94.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.183 -0.948 . . . . 0.0 109.213 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.96 -40.99 90.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 110.078 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.09 -40.06 88.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.117 -0.989 . . . . 0.0 108.974 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.65 90.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.489 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.36 -43.09 96.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.03 -1.044 . . . . 0.0 109.41 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.528 HH22 ' CG ' ' A' ' 82' ' ' ASN . 39.5 mtt-85 -63.86 -39.99 95.51 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.77 -43.17 96.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.687 -0.633 . . . . 0.0 109.648 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 24.2 p -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.06 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.83 94.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 108.386 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.01 -39.25 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.686 -0.634 . . . . 0.0 109.588 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.71 -40.02 86.55 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.221 -0.924 . . . . 0.0 109.112 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.42 -41.12 96.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.867 -1.146 . . . . 0.0 109.135 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.591 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 62.2 m-85 -70.03 -38.23 75.83 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.243 -0.91 . . . . 0.0 109.241 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.159 . . . . 0.0 109.092 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -60.05 -40.18 88.55 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.849 -1.157 . . . . 0.0 108.317 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.03 -39.78 87.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.376 -0.828 . . . . 0.0 109.7 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' C' ' 48' ' ' TYR . 0.2 OUTLIER -59.4 -39.91 84.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.634 -1.291 . . . . 0.0 108.794 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.42 81.4 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.846 -1.159 . . . . 0.0 107.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -39.41 85.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.87 117.17 9.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.995 -1.066 . . . . 0.0 108.166 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 30.5 m120 -132.85 -64.03 0.76 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.435 -0.79 . . . . 0.0 110.352 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.826 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.64 116.97 3.94 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.171 -0.956 . . . . 0.0 109.897 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.788 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.7 m95 -99.59 128.39 45.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.279 -0.888 . . . . 0.0 110.237 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.53 20.45 65.82 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.934 -1.126 . . . . 0.0 110.485 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.38 23.56 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.721 -1.458 . . . . 0.0 109.013 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.68 106.73 2.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.62 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 62' ' ' PHE . . . . . 0.548 ' CB ' HE22 ' A' ' 64' ' ' GLN . 39.4 m-85 -120.02 11.8 11.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 23.9 ttt180 -138.3 22.26 2.77 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 64' ' ' GLN . . . . . 0.559 HE22 ' CB ' ' B' ' 62' ' ' PHE . 29.9 mp0 -149.5 152.09 35.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.934 -1.104 . . . . 0.0 108.334 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -100.85 58.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.077 -1.014 . . . . 0.0 108.321 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.45 157.49 43.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.497 -0.752 . . . . 0.0 109.39 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -128.79 132.52 47.88 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.417 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -90.74 113.09 25.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.789 -1.195 . . . . 0.0 109.698 -179.065 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.524 HG23 ' O ' ' C' ' 69' ' ' THR . 9.7 t -113.72 122.48 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.531 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 80.3 t -129.54 82.83 66.55 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -85.21 62.71 5.94 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.669 2.246 . . . . 0.0 111.113 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 15.7 t90 -68.81 132.18 90.81 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.556 -0.715 . . . . 0.0 109.183 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.2 Cg_exo -38.26 149.75 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 121.557 1.505 . . . . 0.0 111.314 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.605 ' C ' HD21 ' C' ' 74' ' ' ASN . 0.2 OUTLIER -129.13 -57.04 1.17 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.371 -0.831 . . . . 0.0 109.204 -178.782 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.67 124.05 34.77 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.31 107.57 15.09 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.68 136.2 34.81 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.556 0.693 . . . . 0.0 110.216 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -95.32 110.29 49.72 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.836 -0.54 . . . . 0.0 109.683 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -93.71 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.179 0 C-N-CA 121.538 1.492 . . . . 0.0 113.528 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -121.65 -47.73 2.19 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.487 -0.758 . . . . 0.0 112.661 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.703 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.2 p90 -60.08 -58.08 10.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.479 -1.388 . . . . 0.0 112.636 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.703 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.8 OUTLIER -79.76 -39.86 30.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.592 -178.859 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.98 -48.92 79.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.173 -0.954 . . . . 0.0 109.696 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.6 -44.64 96.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.811 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.461 HG23 ' O ' ' C' ' 81' ' ' TRP . 47.0 p -61.78 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.37 -40.05 92.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.027 -1.045 . . . . 0.0 109.475 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.94 -41.06 90.99 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.907 -1.121 . . . . 0.0 108.815 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.48 93.32 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.309 -0.869 . . . . 0.0 108.74 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 68.8 t90 -59.98 -49.91 75.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.601 -0.687 . . . . 0.0 109.358 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.04 95.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.221 -0.924 . . . . 0.0 109.809 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.123 -0.985 . . . . 0.0 110.519 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -60.04 -42.12 93.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.895 -1.128 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.08 -40.42 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.126 -0.984 . . . . 0.0 108.771 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.05 -49.48 77.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -60.0 -46.54 89.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.932 -1.105 . . . . 0.0 109.774 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.83 -40.06 87.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.175 -0.953 . . . . 0.0 109.226 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -47.62 85.11 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -45.58 92.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.858 . . . . 0.0 109.741 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.487 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.9 t-20 -59.99 -43.96 94.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.106 -0.996 . . . . 0.0 109.761 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.99 -45.98 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.976 -1.077 . . . . 0.0 109.629 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 47.5 p -62.63 -40.82 98.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.075 -1.015 . . . . 0.0 109.581 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.53 77.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.983 . . . . 0.0 109.859 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.34 -42.55 98.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.714 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.02 -44.34 94.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.207 -0.933 . . . . 0.0 109.075 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.99 -47.68 84.81 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.115 -0.99 . . . . 0.0 108.783 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.48 -40.78 97.99 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.396 -0.815 . . . . 0.0 109.424 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.41 96.75 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.127 -0.983 . . . . 0.0 109.329 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -59.99 -49.17 78.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.911 . . . . 0.0 109.562 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 93.0 mt -59.98 -49.29 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.203 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.91 -39.98 94.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.0 109.921 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.18 -45.35 93.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.38 -40.11 89.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.61 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.922 . . . . 0.0 109.878 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.44 -43.21 98.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.946 -1.096 . . . . 0.0 109.389 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.92 -40.0 87.54 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.92 -49.41 77.81 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.6 -0.688 . . . . 0.0 109.573 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.95 89.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 109.411 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.46 -41.73 98.97 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -59.91 -38.12 81.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.926 . . . . 0.0 109.734 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.58 -47.51 85.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -127.9 62.05 1.42 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.616 -0.678 . . . . 0.0 109.329 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.459 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.939 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.568 ' NE2' ' H ' ' A' ' 2' ' ' GLN . 3.2 mp0 -72.35 145.33 47.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.404 -0.81 . . . . 0.0 109.778 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -89.09 61.34 5.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.82 -40.03 96.14 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.52 -0.738 . . . . 0.0 109.153 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 6' ' ' LEU . 6.5 t -60.03 -45.08 93.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.24 -0.912 . . . . 0.0 109.219 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.539 ' N ' HG23 ' A' ' 5' ' ' THR . 60.4 tp -60.43 -41.56 94.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 109.133 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.02 -40.03 87.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.818 . . . . 0.0 109.576 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.28 88.58 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.173 -0.954 . . . . 0.0 108.914 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.39 -45.0 57.08 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -47.99 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.286 -1.126 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -44.49 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 108.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.67 -40.2 94.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.215 -0.928 . . . . 0.0 109.421 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -41.71 92.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.0 109.372 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.59 -41.38 97.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.043 -1.036 . . . . 0.0 109.145 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.09 -43.55 95.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.147 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -62.18 -40.22 95.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.18 -0.95 . . . . 0.0 109.405 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.79 -41.79 95.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.924 . . . . 0.0 109.075 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.59 -43.03 97.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.05 -1.031 . . . . 0.0 109.125 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.1 -48.86 79.94 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.81 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -40.43 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.067 -1.02 . . . . 0.0 109.32 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.02 -44.48 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.024 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.73 -40.74 96.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.461 -0.774 . . . . 0.0 109.281 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.562 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 45.0 mtt-85 -61.76 -39.99 93.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.393 -0.817 . . . . 0.0 109.913 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.05 -40.04 88.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.095 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 25' ' ' GLN . 14.0 tp60 -60.04 -45.22 93.57 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.167 -0.958 . . . . 0.0 109.554 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.29 -40.61 90.17 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.22 -40.32 95.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.089 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.15 -40.01 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.567 -0.708 . . . . 0.0 109.207 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 29' ' ' ARG . 49.5 mtt-85 -59.86 -41.09 90.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.847 . . . . 0.0 109.361 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 84.7 mt -62.81 -39.88 95.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.556 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 109.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.12 -40.13 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.381 -0.824 . . . . 0.0 109.296 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -59.95 -41.72 92.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.379 -0.826 . . . . 0.0 109.585 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -59.99 -50.04 75.29 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.989 -1.301 . . . . 0.0 109.995 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -61.6 -39.95 93.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.0 109.443 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.64 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -59.99 -39.93 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.356 -0.84 . . . . 0.0 109.39 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.923 -1.11 . . . . 0.0 108.163 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.99 -39.96 87.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.317 -0.864 . . . . 0.0 109.607 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.0 -40.65 89.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.82 -1.175 . . . . 0.0 108.9 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.588 HH22 ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -63.71 -39.99 95.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.047 -1.033 . . . . 0.0 108.515 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.35 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.47 -0.769 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.3 p -60.02 -39.91 87.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.063 -1.023 . . . . 0.0 109.703 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.95 77.16 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.585 -1.322 . . . . 0.0 108.532 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.82 -39.98 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.491 -0.755 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.783 -1.198 . . . . 0.0 108.064 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -59.93 -46.34 89.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.308 -0.87 . . . . 0.0 109.381 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 53.9 m-85 -65.49 -40.07 92.67 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 109.669 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 ' HB3' HD21 ' A' ' 74' ' ' ASN . 73.8 mt -59.97 -39.66 86.41 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.031 -1.043 . . . . 0.0 108.892 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.05 -39.73 86.95 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.05 -39.47 86.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 109.214 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.67 -39.96 86.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.84 -1.163 . . . . 0.0 109.027 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.02 -37.06 76.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.917 -1.114 . . . . 0.0 108.602 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -39.87 87.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.215 -0.928 . . . . 0.0 108.497 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.7 109.45 7.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.969 -1.082 . . . . 0.0 108.611 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 25.1 m120 -133.44 -63.18 0.76 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.35 111.84 3.2 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.487 ' C ' ' H ' ' A' ' 60' ' ' ALA . 43.5 m95 -131.77 149.99 52.29 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 110.196 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 54.24 6.8 0.68 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -77.12 24.02 0.18 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.285 -1.126 . . . . 0.0 109.075 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.34 109.4 2.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 0.0 110.277 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -105.46 12.74 31.11 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.223 -0.923 . . . . 0.0 109.962 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -119.7 22.33 11.65 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.0 mp0 -150.23 151.74 33.49 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.49 60.26 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.054 -1.029 . . . . 0.0 109.237 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.01 158.12 43.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.463 -0.773 . . . . 0.0 109.182 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -127.5 132.9 49.9 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 68' ' ' THR . 6.3 t -97.31 120.02 36.9 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.161 -0.962 . . . . 0.0 110.636 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 69' ' ' THR . 9.8 t -115.33 122.28 45.41 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.417 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 44.8 t -129.03 85.17 60.78 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.466 -0.771 . . . . 0.0 109.245 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -86.06 64.1 5.25 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.73 2.287 . . . . 0.0 111.788 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.6 t90 -69.94 131.48 89.14 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' TRP . 72.9 Cg_exo -38.31 148.08 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.512 1.475 . . . . 0.0 111.382 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 7.2 t30 -124.8 -56.16 1.58 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.275 -0.891 . . . . 0.0 109.132 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.42 125.41 33.67 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 t -81.68 108.32 15.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.809 -1.157 . . . . 0.0 108.012 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -81.65 135.4 35.53 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.536 0.684 . . . . 0.0 109.64 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -91.54 113.14 57.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -93.96 -46.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 114.109 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -121.25 -45.76 2.33 Favored 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.9 p90 -59.99 -55.6 31.98 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.33 -1.481 . . . . 0.0 112.154 -176.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -78.87 -39.51 35.01 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.216 -1.552 . . . . 0.0 109.701 -179.499 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.95 -47.7 84.72 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.186 -0.946 . . . . 0.0 109.114 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -43.93 95.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.988 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 81' ' ' TRP . 77.7 p -68.14 -39.99 82.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.002 -1.062 . . . . 0.0 109.33 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -61.38 -40.04 92.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.078 -1.014 . . . . 0.0 109.303 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.95 -42.48 94.14 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 120.963 -1.086 . . . . 0.0 108.081 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -40.06 96.17 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.583 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.8 t90 -59.96 -50.02 75.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.511 -0.743 . . . . 0.0 109.189 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.5 -39.97 94.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.192 -0.943 . . . . 0.0 109.296 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.32 -41.61 98.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 110.032 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.03 -42.55 94.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.597 -1.314 . . . . 0.0 109.303 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.26 -42.45 90.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 108.828 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.45 -40.15 93.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.421 -0.799 . . . . 0.0 110.625 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -68.89 -40.01 79.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.785 -1.197 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.17 -40.27 78.24 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.114 -0.992 . . . . 0.0 108.448 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.23 -47.28 86.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.55 -41.01 93.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.001 . . . . 0.0 109.646 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.792 ' C ' HD21 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -66.24 -40.91 90.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.118 -0.989 . . . . 0.0 109.74 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.59 -40.11 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.993 -1.067 . . . . 0.0 109.381 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.0 p -62.45 -40.19 95.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.184 -0.948 . . . . 0.0 109.703 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.36 -0.837 . . . . 0.0 109.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.65 -40.07 95.94 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.541 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.68 -44.98 95.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.963 -1.086 . . . . 0.0 109.068 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.08 83.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.17 -0.956 . . . . 0.0 108.974 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.46 -40.46 96.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.587 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.23 -44.32 97.46 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.317 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -49.7 76.66 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.148 -0.97 . . . . 0.0 109.121 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.07 -49.88 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.16 -0.963 . . . . 0.0 109.512 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.02 -40.53 98.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.559 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.0 -50.04 75.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.341 -0.849 . . . . 0.0 109.454 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.5 -42.54 96.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.164 -0.96 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.48 -42.46 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.298 -0.876 . . . . 0.0 109.767 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -0.957 . . . . 0.0 109.149 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.76 -39.94 84.1 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -60.1 -48.78 80.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 0.0 109.69 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 123' ' ' SER . 93.9 mt-30 -60.05 -41.43 92.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.809 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.0 -39.52 86.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.248 -0.907 . . . . 0.0 109.424 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.1 -47.26 85.9 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -126.11 61.96 1.26 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.095 -1.003 . . . . 0.0 109.075 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.28 145.33 47.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.242 -0.911 . . . . 0.0 109.705 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 36.0 p -88.8 61.49 6.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 109.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -62.95 -39.94 96.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.484 -0.76 . . . . 0.0 109.142 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.551 HG23 ' N ' ' B' ' 6' ' ' LEU . 6.3 t -60.05 -45.04 94.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.551 ' N ' HG23 ' B' ' 5' ' ' THR . 61.0 tp -60.37 -41.66 94.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.18 -0.95 . . . . 0.0 109.199 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.472 -0.768 . . . . 0.0 109.61 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.921 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.89 -44.83 54.86 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -47.82 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 109.552 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.0 -44.7 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.093 -1.004 . . . . 0.0 108.965 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -61.58 -39.98 93.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.998 . . . . 0.0 109.438 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.417 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.15 -41.54 96.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.063 -1.023 . . . . 0.0 109.176 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.28 -43.26 96.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.26 -0.9 . . . . 0.0 109.145 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.4 -40.23 95.84 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.205 -0.934 . . . . 0.0 109.309 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.9 -41.77 95.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.116 -0.99 . . . . 0.0 109.143 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.6 -42.87 97.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.12 -0.987 . . . . 0.0 109.171 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.04 -48.97 79.52 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.03 -40.57 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.003 -1.06 . . . . 0.0 109.332 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.94 -44.65 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.225 -0.922 . . . . 0.0 108.924 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.72 -40.62 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 0.0 109.259 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.45 ' CZ ' ' OD1' ' C' ' 99' ' ' ASN . 44.1 mtt-85 -61.87 -39.98 93.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.839 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.1 -40.03 88.22 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.106 -0.996 . . . . 0.0 109.066 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' B' ' 25' ' ' GLN . 14.0 tp60 -59.93 -45.49 92.44 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.223 -0.923 . . . . 0.0 109.418 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.92 -40.75 91.73 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.001 -1.062 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.26 -40.26 95.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.314 -0.866 . . . . 0.0 109.19 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.18 -39.97 88.35 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.515 -0.741 . . . . 0.0 109.197 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 29' ' ' ARG . 49.4 mtt-85 -60.0 -41.01 91.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.404 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.56 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.4 mt -62.66 -40.18 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.299 -0.876 . . . . 0.0 109.578 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.6 p -64.76 -40.06 94.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.25 -39.99 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.211 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -60.04 -41.24 91.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.534 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.55 94.17 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.04 -50.14 74.9 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.28 . . . . 0.0 109.942 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -61.55 -39.89 92.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.283 -0.886 . . . . 0.0 109.446 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.601 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.3 OUTLIER -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.571 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.947 -1.096 . . . . 0.0 108.264 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.02 -40.1 88.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.384 -0.823 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' B' ' 43' ' ' THR . 47.5 p -59.97 -40.27 88.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.904 -1.123 . . . . 0.0 108.997 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.565 HH22 ' CG ' ' C' ' 82' ' ' ASN . 50.0 mtt-85 -64.14 -39.94 95.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.033 -1.042 . . . . 0.0 108.195 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.51 -41.66 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.489 -0.757 . . . . 0.0 109.524 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 40' ' ' THR . 54.9 p -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.986 -1.071 . . . . 0.0 109.736 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.01 77.99 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.487 -1.383 . . . . 0.0 108.609 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.71 -40.02 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.519 -0.738 . . . . 0.0 110.444 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.837 -1.164 . . . . 0.0 108.079 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -59.99 -46.53 89.16 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.415 -0.803 . . . . 0.0 109.38 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 54.8 m-85 -65.4 -40.0 92.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.93 -39.64 86.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.0 108.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.07 -39.52 86.32 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.07 -39.29 85.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.396 -0.815 . . . . 0.0 109.237 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.7 OUTLIER -59.93 -39.87 86.99 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.802 -1.186 . . . . 0.0 109.026 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.542 ' O ' ' ND2' ' B' ' 56' ' ' ASN . . . -59.09 -37.13 76.39 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.936 -1.102 . . . . 0.0 108.506 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.98 -39.55 86.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.945 . . . . 0.0 108.507 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.0 109.52 7.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.025 -1.047 . . . . 0.0 108.669 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 44.4 m-80 -133.58 -62.87 0.77 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.66 111.79 3.11 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.493 ' C ' ' H ' ' B' ' 60' ' ' ALA . 44.0 m95 -131.98 149.99 52.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.402 -0.811 . . . . 0.0 110.169 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 54.2 6.81 0.68 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -77.16 23.77 0.18 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.306 -1.114 . . . . 0.0 109.123 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.23 109.52 2.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.196 -0.94 . . . . 0.0 110.266 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -105.54 13.16 30.44 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.255 -0.903 . . . . 0.0 110.069 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -120.07 22.43 11.44 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.0 mp0 -150.25 151.79 33.54 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -107.65 60.19 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.013 -1.054 . . . . 0.0 109.175 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.7 43.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.485 -0.759 . . . . 0.0 109.245 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.2 133.17 50.31 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 68' ' ' THR . 6.3 t -97.45 120.27 37.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.11 -0.993 . . . . 0.0 110.532 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.544 HG23 ' O ' ' B' ' 69' ' ' THR . 9.8 t -115.48 122.42 45.7 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.577 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 42.7 t -129.03 85.45 60.0 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.351 -0.843 . . . . 0.0 109.283 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.24 64.15 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.71 2.273 . . . . 0.0 111.916 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.5 t90 -70.04 131.35 89.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.595 -0.691 . . . . 0.0 109.234 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' B' ' 72' ' ' TRP . 73.8 Cg_exo -38.31 148.14 0.1 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 121.46 1.44 . . . . 0.0 111.307 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.2 t-20 -124.88 -56.43 1.57 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.418 -0.801 . . . . 0.0 109.018 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.04 125.38 33.39 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.7 t -81.69 108.5 15.29 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.796 -1.161 . . . . 0.0 107.936 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -81.6 135.92 35.56 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.5 0.667 . . . . 0.0 109.558 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 78' ' ' THR . 15.3 t -91.8 113.03 57.55 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -93.84 -46.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.607 1.538 . . . . 0.0 114.033 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -121.21 -45.76 2.33 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.9 p90 -60.02 -55.82 29.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.368 -1.457 . . . . 0.0 112.083 -176.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.1 OUTLIER -78.59 -39.66 36.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.18 -1.575 . . . . 0.0 109.676 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -60.01 -47.55 85.37 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.0 109.022 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.134 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.439 HG23 ' O ' ' B' ' 81' ' ' TRP . 76.3 p -68.57 -39.94 80.79 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.04 -1.037 . . . . 0.0 109.26 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -61.49 -40.04 93.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.088 -1.008 . . . . 0.0 109.149 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.933 -1.104 . . . . 0.0 108.103 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.17 96.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.525 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.8 t90 -60.0 -49.93 75.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.45 -0.781 . . . . 0.0 109.289 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.18 -40.03 95.25 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.249 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.32 -41.46 98.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.08 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -60.01 -42.82 95.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.614 -1.304 . . . . 0.0 109.242 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.16 -42.24 89.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.226 -0.921 . . . . 0.0 108.792 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.35 -40.19 93.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 0.0 110.747 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -68.94 -40.07 79.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.703 -1.248 . . . . 0.0 109.408 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.16 -40.01 78.43 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.108 -0.995 . . . . 0.0 108.507 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.78 -46.77 89.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.782 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -40.98 92.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.958 -1.089 . . . . 0.0 109.703 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.562 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 51.6 t-20 -66.16 -41.09 90.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.55 -40.18 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.023 -1.048 . . . . 0.0 109.378 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.626 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.76 80.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.0 109.837 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.65 -40.45 96.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.086 -1.009 . . . . 0.0 109.479 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.41 -44.99 96.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.076 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -48.36 82.01 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.185 -0.947 . . . . 0.0 108.922 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.17 -40.64 96.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.418 -0.801 . . . . 0.0 109.703 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.27 97.55 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.274 -0.891 . . . . 0.0 109.236 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.0 -49.71 76.61 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.1 -1.0 . . . . 0.0 109.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.96 -49.99 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.434 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.92 -40.66 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -59.94 -50.04 75.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.245 -0.909 . . . . 0.0 109.516 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.38 -42.28 95.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.185 -0.947 . . . . 0.0 109.367 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.73 -42.18 96.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.34 -0.85 . . . . 0.0 109.79 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -62.95 -42.29 99.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.076 -1.015 . . . . 0.0 108.973 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.8 -40.01 83.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.29 -0.881 . . . . 0.0 108.873 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.94 -48.76 80.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.48 -0.762 . . . . 0.0 109.311 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.42 -40.05 89.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.885 . . . . 0.0 109.518 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.12 -41.81 93.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 109.738 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 123' ' ' SER . 93.7 mt-30 -60.21 -41.43 93.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 0.0 109.829 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -60.1 -39.71 87.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.94 -46.95 86.75 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -126.22 61.84 1.28 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.01 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.33 0.585 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.59 145.35 47.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.0 109.777 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -88.93 61.52 5.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.878 . . . . 0.0 109.145 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.99 -40.06 96.61 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.534 HG23 ' N ' ' C' ' 6' ' ' LEU . 6.5 t -59.95 -45.06 93.87 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.315 -0.866 . . . . 0.0 109.229 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.534 ' N ' HG23 ' C' ' 5' ' ' THR . 60.7 tp -60.54 -41.31 94.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.214 -0.928 . . . . 0.0 109.192 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.35 -39.93 88.93 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.53 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.15 88.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.175 -0.953 . . . . 0.0 108.945 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.56 -44.96 56.29 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -1.107 . . . . 0.0 109.513 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.13 -44.45 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.031 -1.043 . . . . 0.0 108.827 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.79 -39.97 93.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 109.541 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.34 -41.88 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 109.244 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -61.14 -41.56 96.96 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -43.59 94.97 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.203 -0.935 . . . . 0.0 109.257 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.12 -40.06 94.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.377 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.92 -42.08 95.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.081 -1.012 . . . . 0.0 109.013 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.23 -43.06 96.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.145 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.0 -48.92 79.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.168 -0.958 . . . . 0.0 109.878 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.05 -40.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.975 -1.078 . . . . 0.0 109.328 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -44.71 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.31 -0.868 . . . . 0.0 108.911 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.81 -40.93 96.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.512 -0.743 . . . . 0.0 109.171 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.437 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 44.5 mtt-85 -61.56 -39.99 93.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.864 . . . . 0.0 109.795 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.07 -40.06 88.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 109.155 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -59.96 -45.02 94.01 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.154 -0.967 . . . . 0.0 109.483 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.52 -40.24 89.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.931 -1.105 . . . . 0.0 109.401 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.61 -40.12 95.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.265 -0.897 . . . . 0.0 108.968 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.23 -39.97 88.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.48 -0.763 . . . . 0.0 109.243 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' C' ' 29' ' ' ARG . 48.6 mtt-85 -59.97 -40.88 90.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.391 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.583 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.7 mt -62.9 -40.08 96.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -64.81 -40.06 94.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 109.481 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.13 -40.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.89 . . . . 0.0 109.256 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -60.0 -41.75 92.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.533 -0.73 . . . . 0.0 109.522 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -46.54 93.98 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.21 -50.0 75.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.045 -1.268 . . . . 0.0 109.894 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -61.64 -39.98 93.25 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.0 109.403 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.622 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.2 OUTLIER -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.338 -0.851 . . . . 0.0 109.377 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.812 -1.18 . . . . 0.0 108.206 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.259 -0.901 . . . . 0.0 109.632 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' C' ' 43' ' ' THR . 47.7 p -59.96 -40.21 88.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.843 -1.161 . . . . 0.0 108.957 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' A' ' 82' ' ' ASN . 50.0 mtt-85 -64.07 -40.0 95.31 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.8 -41.48 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.532 -0.73 . . . . 0.0 109.412 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' C' ' 40' ' ' THR . 54.5 p -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.998 -1.064 . . . . 0.0 109.636 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.95 78.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.438 -1.414 . . . . 0.0 108.522 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.597 -0.689 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.757 -1.214 . . . . 0.0 108.058 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.04 -46.32 89.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.385 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.59 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 55.0 m-85 -65.44 -40.02 92.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.0 109.689 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.02 -39.75 86.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.01 -39.77 86.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.848 -1.158 . . . . 0.0 107.948 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.128 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.624 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -59.77 -40.06 86.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.807 -1.183 . . . . 0.0 109.024 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -58.93 -36.97 75.65 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.966 -1.084 . . . . 0.0 108.524 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.02 -39.95 87.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.201 -0.937 . . . . 0.0 108.53 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -73.43 109.49 6.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.048 . . . . 0.0 108.598 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.2 m120 -133.64 -62.71 0.77 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.79 111.42 3.03 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.462 ' C ' ' H ' ' C' ' 60' ' ' ALA . 44.0 m95 -131.54 150.1 52.27 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.448 -0.782 . . . . 0.0 110.205 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.01 7.17 0.7 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -77.61 24.03 0.22 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.267 -1.137 . . . . 0.0 109.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.34 109.83 2.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.124 -0.985 . . . . 0.0 110.281 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.04 13.11 29.64 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.243 -0.91 . . . . 0.0 110.014 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -120.02 22.33 11.5 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -150.21 151.82 33.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -107.54 60.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.107 -0.995 . . . . 0.0 109.27 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 158.09 43.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.41 133.05 50.0 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.481 HG23 ' O ' ' C' ' 68' ' ' THR . 6.3 t -97.5 120.13 37.31 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.551 HG23 ' O ' ' C' ' 69' ' ' THR . 9.9 t -115.53 122.15 44.82 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.414 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 42.3 t -128.72 85.34 60.52 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.367 -0.833 . . . . 0.0 109.304 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.19 64.2 5.13 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.759 2.306 . . . . 0.0 111.864 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' C' ' 73' ' ' PRO . 17.2 t90 -70.07 131.51 88.9 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.424 ' C ' ' O ' ' C' ' 72' ' ' TRP . 72.9 Cg_exo -38.35 148.25 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.236 0 C-N-CA 121.445 1.43 . . . . 0.0 111.233 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.2 t-20 -124.97 -56.84 1.55 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.0 108.991 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.96 125.02 33.06 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -81.37 108.44 14.98 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.052 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.6 mt -81.43 135.92 35.66 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.615 0.721 . . . . 0.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.671 HG23 ' O ' ' C' ' 78' ' ' THR . 15.4 t -91.82 112.96 57.27 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.82 -46.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.615 1.543 . . . . 0.0 113.985 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -121.25 -45.84 2.32 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.674 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.6 p90 -60.01 -55.74 30.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.281 -1.512 . . . . 0.0 112.097 -176.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.674 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.1 OUTLIER -78.64 -39.66 36.4 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.072 -1.642 . . . . 0.0 109.678 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.98 -47.57 85.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.132 -0.98 . . . . 0.0 109.159 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -43.76 95.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 109.119 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' C' ' 81' ' ' TRP . 76.2 p -68.41 -39.95 81.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.146 -0.971 . . . . 0.0 109.17 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -61.58 -39.98 93.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.13 -0.981 . . . . 0.0 109.166 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -42.33 94.07 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.907 -1.121 . . . . 0.0 108.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.1 96.14 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.5 t90 -59.94 -49.95 75.67 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.24 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.55 -40.03 94.84 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.183 -0.948 . . . . 0.0 109.214 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.24 -41.44 98.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.145 -0.972 . . . . 0.0 110.17 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -60.07 -42.4 94.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.653 -1.279 . . . . 0.0 109.235 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.55 -42.61 92.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.184 -0.947 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.79 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.53 -39.96 80.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.833 -1.167 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.28 -39.98 78.03 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.529 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -46.2 91.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.353 -0.842 . . . . 0.0 109.784 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.23 -40.8 90.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.65 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.801 ' C ' HD21 ' C' ' 99' ' ' ASN . 0.2 OUTLIER -66.33 -41.06 90.16 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.795 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.54 -40.01 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.425 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.1 p -62.71 -39.97 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.04 . . . . 0.0 109.631 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.96 79.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.65 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.096 -1.002 . . . . 0.0 109.588 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.68 -45.28 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.967 -1.083 . . . . 0.0 108.954 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.05 83.32 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.195 -0.941 . . . . 0.0 108.933 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.567 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.45 97.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 109.226 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.09 -49.47 77.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.189 -0.944 . . . . 0.0 109.215 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.07 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.9 -40.65 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 0.0 109.588 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.03 -50.0 75.44 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.165 -0.959 . . . . 0.0 109.419 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.33 -42.54 95.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.118 -0.989 . . . . 0.0 109.292 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.46 -42.42 96.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 0.0 109.777 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -62.52 -42.52 99.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.118 -0.989 . . . . 0.0 109.111 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.82 -39.95 83.86 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.437 -0.789 . . . . 0.0 109.365 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.31 -39.99 88.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.311 -0.868 . . . . 0.0 109.639 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.17 -41.83 93.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' C' ' 123' ' ' SER . 93.7 mt-30 -59.99 -41.68 92.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.89 . . . . 0.0 109.973 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.0 -38.88 83.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.211 -0.93 . . . . 0.0 109.603 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.78 -46.98 87.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.23 62.03 1.27 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.107 -0.996 . . . . 0.0 109.025 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.411 0.625 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.522 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 77.7 mt-30 -68.5 143.32 55.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.379 -0.825 . . . . 0.0 109.549 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -91.2 59.87 4.08 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -0.865 . . . . 0.0 109.577 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.522 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 51.0 mtt-85 -64.95 -40.04 94.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.568 -0.708 . . . . 0.0 109.345 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.8 t -60.34 -41.37 93.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.266 -0.896 . . . . 0.0 109.32 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.479 ' N ' HG23 ' A' ' 5' ' ' THR . 58.9 tp -60.1 -43.68 95.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.22 -0.925 . . . . 0.0 108.561 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.62 -40.05 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.6 -0.688 . . . . 0.0 109.5 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.7 92.49 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.03 89.61 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.849 -1.701 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.22 -46.82 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -1.093 . . . . 0.0 109.058 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.05 -46.48 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.59 -38.32 87.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.346 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.404 ' OE1' ' NE2' ' B' ' 110' ' ' GLN . 36.8 tp60 -59.93 -41.8 92.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 109.224 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -63.02 -40.18 96.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.992 -1.068 . . . . 0.0 109.11 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.46 -40.27 90.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.347 -0.846 . . . . 0.0 109.833 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' B' ' 110' ' ' GLN . 28.7 mt-30 -66.72 -40.0 88.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.814 -1.179 . . . . 0.0 109.515 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.27 -41.35 99.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 104' ' ' LEU . 50.9 tp -60.28 -43.1 96.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.387 -0.821 . . . . 0.0 109.547 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.0 -45.32 93.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -40.19 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 110.015 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.17 -42.03 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 108.746 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.01 -40.75 94.74 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.34 0.59 . . . . 0.0 109.596 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -60.44 -40.32 90.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.509 -0.745 . . . . 0.0 109.264 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.92 -40.05 87.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.319 -0.863 . . . . 0.0 109.033 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.85 -48.96 79.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.779 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.72 -40.5 96.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.602 -1.311 . . . . 0.0 109.274 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.06 -41.4 96.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.209 -0.932 . . . . 0.0 109.313 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.22 -41.01 92.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.479 -0.763 . . . . 0.0 109.712 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' A' ' 29' ' ' ARG . 42.6 mtt-85 -60.23 -39.87 88.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.953 -1.092 . . . . 0.0 109.249 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.0 mt -61.49 -40.04 93.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -65.64 -40.05 92.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.05 -1.031 . . . . 0.0 109.865 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.77 -40.13 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.145 -0.972 . . . . 0.0 108.926 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -60.05 -42.82 95.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.477 -0.764 . . . . 0.0 110.354 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.83 93.47 Favored Glycine 0 N--CA 1.486 2.024 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.105 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -60.26 -49.99 75.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.075 -1.25 . . . . 0.0 109.913 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -60.05 -39.87 87.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.023 -1.048 . . . . 0.0 109.698 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.62 -40.09 86.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.438 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.0 88.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.949 -1.094 . . . . 0.0 108.735 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.395 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 43' ' ' THR . 69.8 p -59.92 -40.83 90.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.925 -1.11 . . . . 0.0 108.708 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.555 HH21 ' CG ' ' B' ' 82' ' ' ASN . 53.9 mtt-85 -67.35 -39.76 85.76 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.05 -41.05 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.016 -1.053 . . . . 0.0 108.741 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 40' ' ' THR . 70.9 p -59.94 -41.01 90.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.815 -1.178 . . . . 0.0 109.196 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.1 96.98 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.936 -1.102 . . . . 0.0 108.454 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.07 -40.2 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.676 -0.64 . . . . 0.0 110.133 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.567 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 12.5 mm-40 -60.2 -40.31 89.6 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 109.026 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.55 -42.01 98.21 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.301 -0.874 . . . . 0.0 110.808 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CE1' ' O ' ' B' ' 74' ' ' ASN . 63.3 m-85 -68.08 -38.43 82.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.057 -1.027 . . . . 0.0 109.579 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 84.3 mt -59.94 -39.79 86.72 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.737 -1.227 . . . . 0.0 108.42 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.57 -38.51 81.33 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.382 -1.449 . . . . 0.0 108.159 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -63.09 -26.93 69.06 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 42.7 tt0 -59.92 -43.26 95.01 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.17 79.86 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.501 -0.75 . . . . 0.0 109.908 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -80.08 112.44 17.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.946 -1.096 . . . . 0.0 109.164 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.15 -72.12 0.51 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.364 -0.835 . . . . 0.0 109.214 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.2 94.3 2.29 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.412 ' C ' ' H ' ' A' ' 60' ' ' ALA . 52.2 m95 -112.67 145.31 40.67 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.576 -0.702 . . . . 0.0 110.927 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.29 0.6 4.69 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -73.89 24.84 0.07 Allowed 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.421 -1.046 . . . . 0.0 108.975 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.72 112.45 3.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.096 -1.002 . . . . 0.0 109.651 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -114.27 12.03 17.56 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.495 -0.753 . . . . 0.0 110.504 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.415 HH22 ' HB3' ' C' ' 63' ' ' ARG . 10.7 ptp180 -121.06 21.75 11.2 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -144.18 151.05 38.97 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.1 58.66 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.035 -1.04 . . . . 0.0 108.55 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.91 158.1 42.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.47 -0.769 . . . . 0.0 109.604 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -127.15 133.65 50.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 68' ' ' THR . 5.3 t -98.64 119.71 37.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.136 -0.978 . . . . 0.0 111.111 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 69' ' ' THR . 10.0 t -116.64 119.28 35.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 84.3 t -122.45 93.07 48.75 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.436 -0.79 . . . . 0.0 109.15 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -87.01 62.71 4.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.765 2.31 . . . . 0.0 112.325 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 33.2 t90 -70.1 130.66 89.48 Favored Pre-proline 0 N--CA 1.493 1.706 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 97.5 Cg_exo -38.32 147.63 0.11 Allowed 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.418 1.412 . . . . 0.0 112.066 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.567 ' O ' ' CE1' ' C' ' 48' ' ' TYR . 65.4 t30 -130.7 -58.76 1.03 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.567 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -86.73 123.78 32.26 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.72 109.53 16.96 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.13 136.44 35.9 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.444 0.64 . . . . 0.0 109.394 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 78' ' ' THR . 12.4 t -93.16 112.96 58.58 Favored Pre-proline 0 N--CA 1.494 1.732 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -94.61 -47.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.976 0 C-N-CA 121.647 1.565 . . . . 0.0 114.541 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.06 -44.39 2.41 Favored 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.97 -49.93 75.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.28 -1.513 . . . . 0.0 112.605 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.629 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 2.0 t-20 -71.02 -41.09 71.33 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.009 -1.682 . . . . 0.0 110.595 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -59.94 -49.96 75.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.0 . . . . 0.0 110.156 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.0 -44.91 94.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.955 -1.091 . . . . 0.0 109.155 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 81' ' ' TRP . 81.9 p -70.03 -40.07 75.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.132 -0.98 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 42.8 t-105 -67.45 -39.97 85.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.028 -1.045 . . . . 0.0 109.301 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.01 -40.73 90.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.678 -1.264 . . . . 0.0 108.571 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.25 -41.08 96.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.04 -1.038 . . . . 0.0 108.505 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.563 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.6 t90 -60.08 -50.11 74.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.496 -0.752 . . . . 0.0 109.197 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.33 -41.22 98.37 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.825 . . . . 0.0 109.373 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -63.28 -40.29 96.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.487 -0.758 . . . . 0.0 110.192 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.36 -40.86 92.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.82 -1.175 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.26 -40.98 91.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -60.64 -44.68 96.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -66.89 -40.28 87.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.93 -1.106 . . . . 0.0 109.48 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.17 -40.35 86.59 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.27 -49.28 78.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 108.941 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.06 -42.22 98.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.466 -0.771 . . . . 0.0 109.661 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.33 -40.12 95.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.034 -1.041 . . . . 0.0 109.391 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.23 -41.38 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.114 -0.991 . . . . 0.0 109.272 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -62.49 -41.28 98.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.03 -1.044 . . . . 0.0 109.105 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.59 81.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.403 -0.81 . . . . 0.0 109.005 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -47.13 87.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.43 -0.794 . . . . 0.0 109.761 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 18' ' ' LEU . 83.6 mt -59.99 -41.96 93.19 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.356 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.12 -48.86 79.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 109.181 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 -41.87 96.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.518 -0.739 . . . . 0.0 109.591 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.17 93.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.005 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -59.97 -46.9 87.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.053 -1.029 . . . . 0.0 109.401 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.17 -49.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.189 -0.944 . . . . 0.0 109.571 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.471 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 14.7 tt0 -67.96 -40.32 83.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.86 . . . . 0.0 109.976 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -60.03 -49.16 78.76 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.78 -40.53 97.59 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.12 -0.987 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.11 -40.06 96.53 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.014 -1.054 . . . . 0.0 109.648 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -67.57 -40.1 84.88 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.977 -1.077 . . . . 0.0 109.385 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.81 -39.88 76.28 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.089 -1.007 . . . . 0.0 108.645 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.06 -48.2 82.69 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.29 -40.25 93.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.187 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -41.64 92.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.241 -0.912 . . . . 0.0 109.603 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.0 mt-30 -61.0 -42.46 98.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -60.29 -40.03 89.03 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.0 109.367 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.466 HD13 ' NH1' ' A' ' 4' ' ' ARG . 99.5 mt -59.45 -49.11 79.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -116.48 58.86 0.75 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.655 -0.653 . . . . 0.0 109.292 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.128 . . . . 0.0 109.007 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.323 0.582 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.542 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 77.8 mt-30 -68.57 143.22 54.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.526 -0.734 . . . . 0.0 109.606 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -90.88 59.89 4.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.076 -1.015 . . . . 0.0 109.58 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.542 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 49.7 mtt-85 -64.81 -40.09 94.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.627 -0.67 . . . . 0.0 109.335 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.475 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.6 t -60.34 -41.61 93.97 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.293 -0.88 . . . . 0.0 109.407 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.475 ' N ' HG23 ' B' ' 5' ' ' THR . 58.9 tp -59.98 -43.94 94.82 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.57 -40.19 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.45 -0.781 . . . . 0.0 109.457 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.46 90.43 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.932 -1.105 . . . . 0.0 108.308 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.21 -44.68 90.44 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.36 -46.52 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -1.033 . . . . 0.0 109.107 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.05 -46.68 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.012 -1.055 . . . . 0.0 108.766 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -61.83 -38.23 87.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.609 -0.682 . . . . 0.0 109.207 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.407 ' OE1' ' NE2' ' C' ' 110' ' ' GLN . 37.2 tp60 -59.99 -41.85 92.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.157 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -63.03 -40.03 96.52 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.899 -1.126 . . . . 0.0 109.042 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.32 -40.25 89.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 109.836 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.461 ' OE1' ' NE2' ' C' ' 110' ' ' GLN . 28.7 mt-30 -66.85 -40.07 87.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.279 -0.888 . . . . 0.0 109.42 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.36 -41.34 98.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.303 -0.873 . . . . 0.0 109.328 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' B' ' 104' ' ' LEU . 49.6 tp -60.12 -43.35 95.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 109.804 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.87 -45.32 92.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.893 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.95 -40.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.992 . . . . 0.0 109.88 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.19 -41.65 87.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.246 -0.909 . . . . 0.0 108.926 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 61.0 tttp -61.02 -40.96 95.55 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.379 0.609 . . . . 0.0 109.508 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -60.39 -40.06 89.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.356 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.92 -40.09 87.68 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.973 . . . . 0.0 109.137 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.97 -48.61 80.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.759 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 4.9 mp0 -63.9 -40.17 95.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.688 -1.257 . . . . 0.0 109.277 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.25 -41.34 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.373 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.32 -40.75 91.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.465 -0.772 . . . . 0.0 109.919 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' B' ' 29' ' ' ARG . 42.9 mtt-85 -59.99 -40.21 88.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.952 . . . . 0.0 109.439 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.505 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.819 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.9 p -65.5 -39.99 92.53 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.095 -1.003 . . . . 0.0 109.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.95 -40.09 84.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.329 -0.857 . . . . 0.0 108.942 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -60.09 -42.77 95.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.507 -0.746 . . . . 0.0 110.312 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.78 93.54 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.296 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -60.63 -49.93 75.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.947 -1.325 . . . . 0.0 109.751 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -60.06 -39.6 86.57 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.028 -1.045 . . . . 0.0 109.721 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.02 -40.04 87.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.1 -40.14 88.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.051 -1.031 . . . . 0.0 108.731 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 0.0 109.64 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.0 p -60.01 -40.38 89.06 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.866 -1.147 . . . . 0.0 108.503 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.568 HH21 ' CG ' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -67.28 -39.84 86.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.261 -0.899 . . . . 0.0 108.86 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.06 -40.83 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.264 -0.897 . . . . 0.0 108.86 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 40' ' ' THR . 69.6 p -60.09 -40.95 91.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.827 -1.17 . . . . 0.0 109.139 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.55 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.22 -40.06 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.554 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 12.3 mm-40 -60.31 -39.95 88.82 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.251 -0.906 . . . . 0.0 109.108 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' C' ' 74' ' ' ASN . 63.9 m-85 -67.27 -38.85 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.037 -1.04 . . . . 0.0 109.63 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' B' ' 75' ' ' ALA . 84.6 mt -59.91 -39.1 84.24 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.677 -1.264 . . . . 0.0 108.557 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.85 -38.47 82.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.504 -1.373 . . . . 0.0 108.199 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.57 -26.92 68.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.488 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 44.2 tt0 -59.94 -43.74 94.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.89 78.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.907 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -79.95 112.85 17.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.591 -1.318 . . . . 0.0 109.166 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.6 m120 -133.24 -72.28 0.51 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.328 -0.857 . . . . 0.0 109.231 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.15 93.91 2.24 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.407 ' C ' ' H ' ' B' ' 60' ' ' ALA . 50.9 m95 -112.39 145.51 39.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.501 -0.75 . . . . 0.0 110.86 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.8 1.16 4.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.511 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -74.32 25.14 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.304 -1.115 . . . . 0.0 108.957 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.31 112.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.234 -0.916 . . . . 0.0 109.824 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -114.25 12.1 17.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.619 -0.675 . . . . 0.0 110.432 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.405 ' HB3' HH22 ' C' ' 63' ' ' ARG . 10.5 ptp180 -120.64 21.13 11.63 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -143.43 151.48 40.41 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -107.06 58.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 120.97 -1.081 . . . . 0.0 108.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.72 158.08 42.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.559 -0.713 . . . . 0.0 109.622 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -126.84 133.62 50.71 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.439 HG23 ' O ' ' B' ' 68' ' ' THR . 5.0 t -98.75 119.67 37.89 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.169 -0.957 . . . . 0.0 111.104 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 69' ' ' THR . 9.9 t -116.52 119.14 34.64 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.415 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 89.7 t -121.97 93.38 48.63 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.492 -0.755 . . . . 0.0 109.086 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -87.08 62.24 4.14 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.596 2.197 . . . . 0.0 112.605 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 30.4 t90 -69.84 130.15 90.4 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 99.9 Cg_exo -38.18 147.66 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.236 0 C-N-CA 121.426 1.417 . . . . 0.0 112.114 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 65.4 t30 -130.52 -59.5 1.02 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.554 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -86.38 124.03 32.28 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.86 109.71 17.22 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.74 -1.225 . . . . 0.0 107.723 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.05 136.34 35.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.688 HG23 ' O ' ' B' ' 78' ' ' THR . 12.4 t -93.08 113.09 58.93 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.554 -0.716 . . . . 0.0 109.078 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -94.41 -48.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.596 1.531 . . . . 0.0 114.468 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.17 -44.36 2.39 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.5 p90 -59.92 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.119 -1.613 . . . . 0.0 112.451 -175.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.624 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 2.0 t-20 -70.92 -41.04 71.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.272 -1.518 . . . . 0.0 110.654 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.03 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.197 -0.939 . . . . 0.0 110.083 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.766 -1.209 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 81' ' ' TRP . 81.5 p -70.03 -39.73 75.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 109.779 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.412 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 43.4 t-105 -67.79 -39.95 84.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.913 -1.117 . . . . 0.0 109.417 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -40.16 88.95 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.642 -1.286 . . . . 0.0 108.648 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.81 -41.19 97.46 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.098 -1.001 . . . . 0.0 108.471 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.5 t90 -60.17 -49.97 75.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.441 -0.787 . . . . 0.0 109.073 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.95 -41.74 98.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.488 -0.758 . . . . 0.0 109.274 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.75 -40.32 96.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 110.201 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.7 -40.53 92.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.82 -1.175 . . . . 0.0 109.105 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.73 -40.4 88.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.19 -43.92 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.389 -0.819 . . . . 0.0 110.718 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.732 -1.23 . . . . 0.0 109.676 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.82 -40.52 83.81 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.169 -0.957 . . . . 0.0 108.827 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -49.66 76.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.267 -0.896 . . . . 0.0 108.93 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.52 -42.47 96.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.481 -0.762 . . . . 0.0 109.784 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.414 ' HA ' HD21 ' B' ' 99' ' ' ASN . 10.5 m120 -61.88 -40.23 94.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.185 -0.947 . . . . 0.0 109.572 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.14 -41.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.243 -0.91 . . . . 0.0 109.277 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -62.06 -41.68 98.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.194 -0.941 . . . . 0.0 109.16 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.09 83.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.863 . . . . 0.0 109.292 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.14 -47.52 85.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.494 -0.754 . . . . 0.0 109.653 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' B' ' 18' ' ' LEU . 84.4 mt -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.218 -0.926 . . . . 0.0 109.261 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.2 -49.48 77.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.255 -0.903 . . . . 0.0 109.13 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.12 -41.46 92.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.573 -0.704 . . . . 0.0 109.664 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.4 -45.07 94.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.358 -0.839 . . . . 0.0 109.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -60.03 -46.92 87.9 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.03 -1.044 . . . . 0.0 109.374 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.14 -49.8 82.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.29 -0.882 . . . . 0.0 109.59 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 16' ' ' GLN . 14.6 tt0 -68.23 -40.04 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 109.935 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.25 -49.32 78.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.883 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.91 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -62.69 -40.0 95.75 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.0 109.798 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -67.68 -40.2 84.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.922 -1.111 . . . . 0.0 109.502 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.67 -39.8 76.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 108.661 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.23 -48.36 82.06 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -40.14 92.75 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.12 -42.24 94.35 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.41 -0.806 . . . . 0.0 109.804 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.3 mt-30 -60.68 -42.48 97.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.094 -1.004 . . . . 0.0 109.732 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.23 -39.89 88.28 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.233 -0.917 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.457 HD13 ' NH1' ' B' ' 4' ' ' ARG . 98.8 mt -59.57 -49.38 77.98 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.38 58.6 0.75 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.697 -0.627 . . . . 0.0 109.495 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.288 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.447 0.642 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.534 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 78.3 mt-30 -69.16 143.54 54.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.285 -0.884 . . . . 0.0 109.543 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -91.07 59.85 4.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.534 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 50.1 mtt-85 -65.04 -40.06 94.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.392 -0.818 . . . . 0.0 109.398 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.476 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.8 t -60.1 -41.25 92.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.476 ' N ' HG23 ' C' ' 5' ' ' THR . 59.2 tp -59.98 -43.99 94.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.227 -0.921 . . . . 0.0 108.559 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.31 -39.87 88.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.591 -0.693 . . . . 0.0 109.625 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.63 92.36 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.43 -44.71 89.74 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.25 -46.93 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.535 -0.979 . . . . 0.0 109.217 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.88 -47.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.78 -38.59 85.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.463 -0.773 . . . . 0.0 109.359 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' GLN . . . . . 0.471 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 36.7 tp60 -59.84 -41.78 92.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.306 -0.871 . . . . 0.0 109.386 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -63.22 -40.03 96.31 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.921 -1.112 . . . . 0.0 109.11 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.47 -40.31 90.75 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.247 -0.908 . . . . 0.0 109.7 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.419 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 28.8 mt-30 -66.53 -40.06 88.94 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.0 109.605 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.4 -41.58 98.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' C' ' 104' ' ' LEU . 50.9 tp -60.24 -43.63 95.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.407 -0.808 . . . . 0.0 109.398 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.86 -44.5 94.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 109.939 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.58 -40.28 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.12 -41.88 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.201 -0.937 . . . . 0.0 108.82 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.15 -40.79 95.17 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.362 0.601 . . . . 0.0 109.558 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -60.08 -40.11 88.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.392 -0.818 . . . . 0.0 109.165 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.1 -39.88 87.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.353 -0.842 . . . . 0.0 109.147 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.11 -48.67 80.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.408 -0.807 . . . . 0.0 109.711 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -64.01 -40.24 95.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.609 -1.307 . . . . 0.0 109.419 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -61.24 -41.36 96.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.37 -0.831 . . . . 0.0 109.186 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.47 -40.83 92.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.537 -0.727 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.441 ' HG2' HH11 ' C' ' 29' ' ' ARG . 42.0 mtt-85 -60.1 -39.91 87.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.051 . . . . 0.0 109.404 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.563 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.3 mt -61.47 -40.11 93.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.945 . . . . 0.0 109.652 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -65.63 -40.39 92.5 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 109.723 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.56 -40.17 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.201 -0.937 . . . . 0.0 109.062 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -60.11 -42.8 95.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.76 . . . . 0.0 110.263 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -47.32 91.53 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.29 -50.03 75.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.309 . . . . 0.0 109.838 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -60.17 -39.26 85.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 109.676 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.025 . . . . 0.0 109.284 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.14 -40.08 88.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.973 -1.079 . . . . 0.0 108.874 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.12 -40.05 88.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.119 -0.988 . . . . 0.0 109.378 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -60.19 -40.23 89.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.767 -1.208 . . . . 0.0 108.649 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.561 HH21 ' CG ' ' A' ' 82' ' ' ASN . 52.6 mtt-85 -67.52 -39.79 85.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 108.673 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -41.05 84.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.275 -0.89 . . . . 0.0 108.669 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 71.8 p -60.05 -40.75 90.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.814 -1.179 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.07 96.23 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.94 -40.28 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.726 -0.609 . . . . 0.0 110.258 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.564 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 12.8 mm-40 -60.08 -39.93 87.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.114 -0.991 . . . . 0.0 108.999 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.21 -42.49 99.34 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.902 . . . . 0.0 110.394 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 74' ' ' ASN . 63.6 m-85 -67.46 -38.48 84.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.002 -1.061 . . . . 0.0 109.665 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' C' ' 75' ' ' ALA . 84.2 mt -60.1 -39.45 86.21 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.77 -1.206 . . . . 0.0 108.358 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.98 -38.48 82.66 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.428 -1.42 . . . . 0.0 107.968 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -63.41 -26.6 68.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.486 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 42.5 tt0 -59.95 -43.4 95.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.98 79.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.86 -40.08 87.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.461 -0.775 . . . . 0.0 109.919 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -80.15 112.7 17.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.814 -1.179 . . . . 0.0 109.114 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.5 m120 -133.23 -72.25 0.51 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.866 . . . . 0.0 109.111 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 94.22 2.28 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -112.51 144.86 41.27 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.494 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.39 0.87 5.07 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -73.69 24.92 0.07 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.433 -1.039 . . . . 0.0 108.97 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.05 112.08 3.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.917 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 62' ' ' PHE . . . . . 0.415 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 34.4 m-85 -113.95 11.75 17.89 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.73 -0.606 . . . . 0.0 110.592 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.415 ' HB3' HH22 ' A' ' 63' ' ' ARG . 10.7 ptp180 -120.67 21.6 11.46 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -143.9 151.19 39.5 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -107.2 58.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.063 -1.023 . . . . 0.0 108.505 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.76 157.92 42.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.603 -0.686 . . . . 0.0 109.847 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -127.2 133.37 50.29 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.434 HG23 ' O ' ' C' ' 68' ' ' THR . 5.2 t -98.36 119.85 37.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.231 -0.918 . . . . 0.0 111.125 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.576 HG23 ' O ' ' C' ' 69' ' ' THR . 10.1 t -116.79 119.04 34.17 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 85.1 t -122.03 93.01 48.8 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.9 62.62 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.252 0 C-N-CA 122.41 2.073 . . . . 0.0 112.452 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.7 t90 -69.97 130.47 89.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 108.771 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' C' ' 72' ' ' TRP . 95.1 Cg_exo -38.32 147.59 0.11 Allowed 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 121.35 1.367 . . . . 0.0 112.112 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CE1' ' B' ' 48' ' ' TYR . 65.3 t30 -130.49 -59.26 1.03 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 75' ' ' ALA . . . . . 0.564 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -86.49 123.86 32.17 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.64 109.61 16.97 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 118.853 -1.139 . . . . 0.0 107.947 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -81.02 136.12 35.94 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.573 0.702 . . . . 0.0 109.424 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' C' ' 78' ' ' THR . 12.7 t -92.77 113.14 58.78 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 109.214 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -94.2 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.02 0 C-N-CA 121.555 1.503 . . . . 0.0 114.548 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.23 -44.51 2.38 Favored 'General case' 0 N--CA 1.507 2.413 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.5 p90 -59.86 -50.12 75.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.117 -1.614 . . . . 0.0 112.472 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.615 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 2.0 t-20 -71.03 -40.46 71.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.041 -1.662 . . . . 0.0 110.681 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.043 -1.036 . . . . 0.0 110.262 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.997 -1.064 . . . . 0.0 109.009 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.402 HG23 ' O ' ' C' ' 81' ' ' TRP . 81.5 p -69.99 -39.97 75.6 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.261 -0.899 . . . . 0.0 110.069 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.426 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 43.6 t-105 -67.45 -39.92 85.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.884 -1.135 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -60.19 -40.05 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.681 -1.262 . . . . 0.0 108.606 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.87 -40.85 96.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 108.443 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.505 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.3 t90 -60.18 -49.88 75.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.36 -0.838 . . . . 0.0 109.1 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.24 -41.97 98.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.393 -0.817 . . . . 0.0 109.229 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.905 . . . . 0.0 110.237 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.09 -41.26 92.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.92 -40.81 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.75 -44.29 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.499 -0.751 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -67.21 -40.04 86.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.812 -1.18 . . . . 0.0 109.604 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.93 -40.13 83.4 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 108.941 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.33 -49.21 78.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.314 -0.866 . . . . 0.0 109.121 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.13 -42.33 98.35 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.358 -0.839 . . . . 0.0 109.528 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -61.96 -40.53 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.73 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.324 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 70.2 p -62.14 -41.79 98.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.48 81.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.332 -0.855 . . . . 0.0 109.171 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.05 -47.34 86.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.496 -0.753 . . . . 0.0 109.529 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' C' ' 18' ' ' LEU . 85.1 mt -59.97 -41.96 93.12 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.225 -0.922 . . . . 0.0 109.354 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 -48.78 80.26 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.187 -0.946 . . . . 0.0 109.288 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.56 -41.94 95.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.429 -0.795 . . . . 0.0 109.305 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.94 94.6 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.374 -0.829 . . . . 0.0 109.296 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -60.05 -46.61 88.95 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.129 . . . . 0.0 109.502 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.21 -49.7 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.203 -0.935 . . . . 0.0 109.518 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 110' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' B' ' 16' ' ' GLN . 14.6 tt0 -68.56 -40.23 80.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.254 -0.903 . . . . 0.0 109.79 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -60.08 -49.19 78.61 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.155 -0.966 . . . . 0.0 109.326 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.27 -41.08 98.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.911 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -62.87 -39.99 96.12 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.552 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.66 -40.24 84.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.887 -1.133 . . . . 0.0 109.502 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.8 -40.06 76.2 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 108.617 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -59.88 -48.61 80.99 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -40.33 92.24 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.221 -0.925 . . . . 0.0 109.434 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -41.71 92.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.397 -0.814 . . . . 0.0 109.87 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -61.18 -42.35 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.063 -1.023 . . . . 0.0 109.844 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.251 -0.906 . . . . 0.0 109.463 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 121' ' ' LEU . . . . . 0.469 HD13 ' NH1' ' C' ' 4' ' ' ARG . 97.6 mt -59.82 -48.96 79.59 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.56 58.99 0.75 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.5 p . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.464 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 93.1 mt-30 -70.37 144.75 51.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 109.037 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -89.65 60.67 5.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.069 -1.019 . . . . 0.0 109.194 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -64.01 -39.99 95.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.43 -0.794 . . . . 0.0 109.284 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 5.0 t -59.94 -42.78 94.75 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.497 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 62.6 tp -66.51 -40.87 89.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.056 -1.028 . . . . 0.0 109.28 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.18 -39.76 87.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.475 -0.765 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.0 86.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.124 -0.985 . . . . 0.0 108.644 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.07 43.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.0 -47.73 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.206 -1.173 . . . . 0.0 109.765 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.03 -41.99 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 108.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' HE22 ' B' ' 110' ' ' GLN . 60.3 tt0 -61.73 -40.3 94.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.602 -0.686 . . . . 0.0 109.589 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.05 -41.62 92.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.23 -40.99 92.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.124 -0.985 . . . . 0.0 108.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.73 -42.5 97.41 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.447 -0.783 . . . . 0.0 109.239 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -64.48 -41.19 96.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.279 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.21 -43.58 98.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 109.04 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.05 -43.74 95.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.87 . . . . 0.0 109.064 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 58.6 t0 -60.09 -44.97 94.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 109.544 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.09 -39.94 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.233 -0.917 . . . . 0.0 109.372 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -40.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 108.791 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.0 -43.05 95.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.807 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 11.0 mpt_? -60.06 -40.96 91.27 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.96 . . . . 0.0 109.348 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.26 -39.94 88.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.967 -1.083 . . . . 0.0 109.262 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.03 -47.77 84.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 108.974 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.8 -41.99 99.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.329 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.16 -40.56 90.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.416 -0.803 . . . . 0.0 109.658 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.7 -40.42 92.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.134 -0.978 . . . . 0.0 109.917 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.5 mt -62.75 -40.09 96.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.044 -1.035 . . . . 0.0 109.616 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.1 p -63.65 -40.02 95.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.079 -1.013 . . . . 0.0 109.906 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.21 -40.0 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.281 -0.887 . . . . 0.0 109.136 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -59.98 -43.4 95.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.8 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.28 80.34 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 119.645 -1.264 . . . . 0.0 110.233 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -60.05 -49.98 75.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -1.213 . . . . 0.0 109.949 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.744 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.92 -41.53 91.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.52 -39.97 89.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.024 -1.048 . . . . 0.0 109.382 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.96 -41.29 91.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.194 -0.941 . . . . 0.0 109.961 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.761 -1.212 . . . . 0.0 108.116 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.494 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 31.9 mtt-85 -63.68 -40.01 95.75 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -40.15 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.453 -0.779 . . . . 0.0 109.303 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.8 p -60.06 -39.92 87.68 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.989 -1.07 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.98 85.71 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.784 -1.197 . . . . 0.0 109.709 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.77 -41.06 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.243 -0.91 . . . . 0.0 111.248 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.57 -39.06 92.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.597 -1.314 . . . . 0.0 108.444 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.03 -45.15 93.75 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.185 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 49.8 m-85 -65.53 -39.41 91.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.0 -1.062 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.88 -38.51 82.4 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.06 -39.9 87.6 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.05 -39.09 84.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.37 -0.831 . . . . 0.0 109.349 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.652 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -59.95 -39.96 87.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.15 . . . . 0.0 109.102 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.755 -1.216 . . . . 0.0 108.161 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -59.93 -39.74 86.52 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.848 . . . . 0.0 108.963 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -69.46 118.48 12.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.044 -1.035 . . . . 0.0 108.756 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.535 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 32.6 m120 -133.63 -64.75 0.7 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.287 -0.883 . . . . 0.0 110.33 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.61 118.03 4.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -0.96 . . . . 0.0 110.01 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.785 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.7 m95 -100.76 129.57 46.67 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 63.73 21.77 65.51 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.72 23.45 0.16 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.598 -1.53 . . . . 0.0 108.688 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.22 111.24 2.39 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.443 -0.786 . . . . 0.0 109.202 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CD2' ' NE2' ' B' ' 64' ' ' GLN . 34.1 m-85 -121.38 11.59 10.74 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.368 -0.832 . . . . 0.0 110.358 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.74 25.16 2.18 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.449 ' NE2' ' CD2' ' C' ' 62' ' ' PHE . 31.6 mt-30 -143.66 152.62 41.57 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.75 57.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.0 108.622 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.04 158.14 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.513 -0.742 . . . . 0.0 110.019 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.48 133.61 47.37 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -90.35 112.93 24.69 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.56 -1.337 . . . . 0.0 110.179 -178.51 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 69' ' ' THR . 10.1 t -112.69 122.0 46.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.535 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 70.0 t -125.44 84.32 60.19 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.581 -0.699 . . . . 0.0 109.582 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.56 63.53 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.498 2.132 . . . . 0.0 110.881 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 25.4 t90 -67.18 133.86 93.51 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.476 -0.765 . . . . 0.0 109.094 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 79.4 Cg_exo -38.8 149.19 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.662 1.575 . . . . 0.0 111.042 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.2 OUTLIER -130.3 -60.62 1.0 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.232 -0.917 . . . . 0.0 109.441 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.54 124.59 36.68 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.268 -0.895 . . . . 0.0 108.897 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.41 108.08 14.72 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.88 135.83 36.53 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.766 0.793 . . . . 0.0 110.33 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 78' ' ' THR . 6.7 t -90.26 115.21 63.53 Favored Pre-proline 0 N--CA 1.49 1.565 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -92.21 -47.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.691 1.594 . . . . 0.0 113.615 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.12 -44.27 2.29 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.19 93.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.325 -1.485 . . . . 0.0 113.272 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.566 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -76.31 -50.06 15.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.213 -1.555 . . . . 0.0 110.773 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.9 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.058 -1.026 . . . . 0.0 110.223 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.874 -1.141 . . . . 0.0 109.411 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 81' ' ' TRP . 60.7 p -68.89 -40.02 79.42 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.209 -0.932 . . . . 0.0 109.706 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -66.84 -39.91 87.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 109.189 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.0 -41.78 92.82 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.966 -1.084 . . . . 0.0 108.358 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.35 -41.54 97.24 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.951 . . . . 0.0 108.912 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.527 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.3 t90 -59.96 -49.92 75.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.396 -0.815 . . . . 0.0 109.752 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.08 -41.42 96.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.104 -0.998 . . . . 0.0 109.526 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.87 -40.86 96.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.99 -1.069 . . . . 0.0 110.444 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.21 -40.62 90.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.9 -1.125 . . . . 0.0 109.76 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.21 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 108.94 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.9 -47.62 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.432 -0.793 . . . . 0.0 110.201 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -61.69 -40.89 96.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.012 -1.055 . . . . 0.0 109.709 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.41 -40.25 81.33 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.181 -0.949 . . . . 0.0 109.151 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.66 -45.04 95.71 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.219 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.68 -40.46 96.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.26 -0.9 . . . . 0.0 109.446 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.91 -41.76 95.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.248 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.91 -48.03 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.329 -0.857 . . . . 0.0 109.366 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -59.98 -42.64 94.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.05 75.25 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.284 -0.885 . . . . 0.0 109.34 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.41 -44.27 97.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.234 -0.916 . . . . 0.0 109.396 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.8 -42.02 96.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.4 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -50.05 75.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.136 -0.977 . . . . 0.0 109.602 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.73 -42.8 98.04 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.282 -0.886 . . . . 0.0 109.254 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.18 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.387 -0.82 . . . . 0.0 109.754 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.96 -46.27 89.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.01 -49.15 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.235 -0.916 . . . . 0.0 109.303 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.403 HE22 ' HB3' ' C' ' 12' ' ' GLN . 62.4 tt0 -68.56 -39.98 80.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.196 -0.94 . . . . 0.0 110.233 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.0 -50.06 75.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.099 -1.0 . . . . 0.0 109.993 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.1 -39.92 96.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.64 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -64.22 -40.73 96.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.196 -0.94 . . . . 0.0 109.825 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.82 -44.89 95.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.082 . . . . 0.0 109.432 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.19 -41.18 94.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.226 -0.921 . . . . 0.0 109.016 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.95 -49.39 77.86 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.0 109.683 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.76 -40.03 90.98 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.171 -0.955 . . . . 0.0 109.458 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.84 -41.62 96.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.9 mt-30 -60.05 -41.2 91.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.173 -0.954 . . . . 0.0 109.816 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.19 -40.05 88.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.116 -0.99 . . . . 0.0 108.959 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.94 -48.17 82.8 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -116.75 57.89 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.496 1.836 0 O-C-N 120.996 -1.065 . . . . 0.0 109.059 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 93.0 mt-30 -70.1 144.79 52.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -89.74 60.77 5.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.194 -0.941 . . . . 0.0 109.078 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.06 -40.0 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.536 -0.728 . . . . 0.0 109.203 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.0 t -59.99 -42.77 94.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.194 -0.941 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 5' ' ' THR . 62.7 tp -66.44 -40.77 89.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.96 -1.087 . . . . 0.0 109.254 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.27 -39.94 88.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.509 -0.745 . . . . 0.0 109.832 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.02 85.05 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.018 -1.051 . . . . 0.0 108.634 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.11 -50.0 43.03 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.04 -47.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -1.182 . . . . 0.0 109.814 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.06 -41.89 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 108.22 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.87 -40.17 94.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.59 -0.694 . . . . 0.0 109.668 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.05 -41.71 92.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.544 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.36 -41.05 92.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.46 -42.69 96.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.379 -0.826 . . . . 0.0 109.152 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.4 -41.03 96.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.388 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.49 -43.47 98.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 108.976 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.1 -43.75 95.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.852 . . . . 0.0 109.002 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 58.3 t0 -60.03 -45.06 94.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.283 -0.886 . . . . 0.0 109.702 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.03 -39.96 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.223 -0.923 . . . . 0.0 109.294 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -40.61 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.188 -0.945 . . . . 0.0 108.801 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.02 -42.91 95.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.612 -0.68 . . . . 0.0 109.671 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 11.1 mpt_? -60.1 -40.87 91.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.304 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.38 -39.98 89.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.972 -1.08 . . . . 0.0 109.347 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.13 -47.74 84.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -62.75 -41.98 99.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.39 -40.26 96.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.297 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.37 -40.45 90.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.382 -0.824 . . . . 0.0 109.654 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.76 -40.43 92.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.017 -1.052 . . . . 0.0 109.952 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.507 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.0 mt -62.84 -39.97 96.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.05 -1.031 . . . . 0.0 109.628 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -63.49 -40.06 96.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.091 -1.006 . . . . 0.0 109.922 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.19 -40.03 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 109.181 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.94 -43.43 94.96 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 110.113 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.44 78.56 Favored Glycine 0 N--CA 1.487 2.069 0 C-N-CA 119.668 -1.253 . . . . 0.0 110.223 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.3 m -60.01 -49.91 75.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -1.194 . . . . 0.0 110.0 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.22 -40.01 88.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 0.0 109.722 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.886 . . . . 0.0 109.794 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.45 -40.02 89.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.061 -1.024 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.03 -41.36 92.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 109.897 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -59.99 -40.29 88.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.665 -1.272 . . . . 0.0 108.114 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.475 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 32.3 mtt-85 -63.77 -39.99 95.6 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.13 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.431 -0.793 . . . . 0.0 109.305 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 79.2 p -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.977 -1.077 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.768 -1.207 . . . . 0.0 109.693 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.82 -40.95 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.225 -0.922 . . . . 0.0 111.255 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.88 -38.8 92.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.527 -1.358 . . . . 0.0 108.45 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.07 -45.09 94.06 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.167 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 49.2 m-85 -65.57 -39.53 91.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.983 -1.073 . . . . 0.0 109.971 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 mt -59.76 -38.59 82.2 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.03 -1.044 . . . . 0.0 108.781 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.03 -39.94 87.62 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.04 -39.12 84.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.391 -0.818 . . . . 0.0 109.342 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.649 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.8 -40.11 87.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.855 -1.153 . . . . 0.0 109.067 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.29 84.02 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.819 -1.176 . . . . 0.0 108.16 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.379 -0.825 . . . . 0.0 108.852 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 118.54 12.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.961 -1.087 . . . . 0.0 108.778 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 32.8 m120 -133.65 -64.65 0.7 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.35 -0.844 . . . . 0.0 110.321 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.785 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.57 117.99 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.256 -0.902 . . . . 0.0 110.036 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.791 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.5 m95 -100.72 129.63 46.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.297 -0.877 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.71 21.9 65.61 Favored Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.667 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -76.77 23.44 0.17 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.489 -1.595 . . . . 0.0 108.685 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.13 111.46 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.442 -0.786 . . . . 0.0 109.252 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.448 ' CD2' ' NE2' ' C' ' 64' ' ' GLN . 34.3 m-85 -121.69 11.49 10.51 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 121.374 -0.829 . . . . 0.0 110.411 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.73 25.3 2.17 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLN . . . . . 0.426 ' NE2' ' CD2' ' A' ' 62' ' ' PHE . 31.7 mt-30 -143.88 152.79 41.6 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -102.01 57.27 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.03 -1.044 . . . . 0.0 108.619 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.89 158.31 40.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.64 133.54 47.18 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.425 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -90.39 112.96 24.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.603 -1.31 . . . . 0.0 110.012 -178.607 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.525 HG23 ' O ' ' B' ' 69' ' ' THR . 10.0 t -112.86 122.01 46.38 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.529 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 67.1 t -125.28 84.44 59.67 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.485 -0.759 . . . . 0.0 109.7 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.78 63.58 6.41 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.566 2.177 . . . . 0.0 110.958 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' B' ' 73' ' ' PRO . 25.3 t90 -67.22 133.95 93.43 Favored Pre-proline 0 N--CA 1.487 1.408 0 O-C-N 121.535 -0.728 . . . . 0.0 109.091 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' B' ' 72' ' ' TRP . 80.7 Cg_exo -39.02 149.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 121.657 1.571 . . . . 0.0 110.926 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -130.2 -60.45 1.01 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.287 -0.883 . . . . 0.0 109.48 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 124.6 36.72 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.195 -0.941 . . . . 0.0 108.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.4 107.74 14.43 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -79.59 135.92 36.72 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.779 0.8 . . . . 0.0 110.253 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.558 HG23 ' O ' ' B' ' 78' ' ' THR . 6.6 t -90.3 115.31 63.77 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -92.3 -46.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 121.678 1.585 . . . . 0.0 113.715 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -122.17 -44.33 2.28 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.05 94.16 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.363 -1.461 . . . . 0.0 113.142 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.577 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -76.58 -49.95 15.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.186 -1.571 . . . . 0.0 110.837 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.0 -49.99 75.51 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.029 -1.044 . . . . 0.0 110.175 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.01 -47.07 87.36 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.863 -1.148 . . . . 0.0 109.408 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 81' ' ' TRP . 60.1 p -68.91 -39.92 79.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.236 -0.915 . . . . 0.0 109.625 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -66.68 -40.02 88.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.866 -1.146 . . . . 0.0 109.208 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.08 -41.75 93.12 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.882 -1.136 . . . . 0.0 108.345 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.45 -41.52 97.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.96 . . . . 0.0 108.902 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.502 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.3 t90 -60.02 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.61 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -60.84 -41.78 96.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.073 -1.017 . . . . 0.0 109.449 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.65 -40.85 96.36 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.125 -0.985 . . . . 0.0 110.469 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.3 -40.7 91.46 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.12 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.147 -0.97 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.461 -0.774 . . . . 0.0 110.192 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -61.67 -41.12 97.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.952 -1.092 . . . . 0.0 109.667 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.18 -40.54 82.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.177 -0.952 . . . . 0.0 109.104 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.23 -45.64 93.72 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.193 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.12 -41.0 99.25 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.18 -42.29 96.75 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.187 -0.946 . . . . 0.0 109.192 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.66 -47.79 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.353 -0.842 . . . . 0.0 109.379 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 38.5 p -60.33 -42.39 95.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 109.462 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.98 75.45 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.367 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.41 -44.01 97.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.321 -0.862 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.1 -41.88 97.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -49.98 75.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.149 -0.969 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.89 -42.52 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.179 -0.951 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.99 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.32 -0.863 . . . . 0.0 109.797 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.93 -46.21 90.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.142 -0.974 . . . . 0.0 109.572 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.1 -49.04 85.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.184 -0.948 . . . . 0.0 109.306 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.426 HE22 ' HB3' ' A' ' 12' ' ' GLN . 62.4 tt0 -68.67 -40.05 80.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.128 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -49.93 75.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.006 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.08 -40.04 96.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.122 -0.986 . . . . 0.0 109.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -64.27 -40.46 96.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.855 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.29 -44.22 97.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.953 -1.092 . . . . 0.0 109.431 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 55.3 ttp -65.83 -40.98 92.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.241 -0.912 . . . . 0.0 109.014 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.95 -49.34 78.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.38 -0.825 . . . . 0.0 109.798 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.96 91.36 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.266 -0.896 . . . . 0.0 109.543 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -41.78 95.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.889 . . . . 0.0 109.485 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.8 mt-30 -60.03 -41.21 91.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.2 -39.95 88.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.913 . . . . 0.0 108.938 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.04 -48.25 82.48 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -116.67 57.81 0.77 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.497 1.889 0 O-C-N 120.984 -1.073 . . . . 0.0 109.054 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -70.01 144.59 52.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 109.14 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -89.39 60.63 5.31 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.161 -0.962 . . . . 0.0 109.213 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.03 -39.97 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 109.262 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.498 HG23 ' N ' ' C' ' 6' ' ' LEU . 4.9 t -60.03 -42.82 95.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.268 -0.895 . . . . 0.0 109.43 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.498 ' N ' HG23 ' C' ' 5' ' ' THR . 61.8 tp -66.29 -40.98 90.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 109.271 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.23 -39.71 87.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.541 -0.724 . . . . 0.0 109.892 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.96 86.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.064 -1.022 . . . . 0.0 108.638 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.0 -50.02 43.58 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.97 -47.79 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.254 -1.144 . . . . 0.0 109.804 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.93 -42.09 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.932 -1.105 . . . . 0.0 108.259 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.403 ' HB3' HE22 ' A' ' 110' ' ' GLN . 60.4 tt0 -61.49 -40.44 94.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.584 -0.698 . . . . 0.0 109.654 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.01 -41.57 92.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.672 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -60.27 -40.88 91.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.069 -1.019 . . . . 0.0 108.929 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.87 -42.48 97.96 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.481 -0.762 . . . . 0.0 109.117 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.401 ' O ' HG23 ' C' ' 20' ' ' VAL . 77.5 mt-30 -64.46 -41.02 96.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.181 -0.949 . . . . 0.0 109.372 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.59 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.133 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.0 -43.8 94.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.355 -0.841 . . . . 0.0 109.014 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 58.4 t0 -59.99 -45.06 93.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.282 -0.886 . . . . 0.0 109.637 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 16' ' ' GLN . 89.9 t -60.0 -40.09 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.859 . . . . 0.0 109.339 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.57 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.293 -0.88 . . . . 0.0 108.756 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.05 -43.02 95.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.625 -0.672 . . . . 0.0 109.714 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 11.0 mpt_? -60.08 -41.05 91.61 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.263 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.2 -40.05 88.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.013 -1.054 . . . . 0.0 109.272 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.06 -47.85 84.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.348 -0.845 . . . . 0.0 108.989 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.75 -41.78 99.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.323 -0.861 . . . . 0.0 109.643 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.52 -40.26 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.183 -0.948 . . . . 0.0 109.28 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.23 -40.8 91.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.329 -0.857 . . . . 0.0 109.618 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -40.63 91.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.527 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.8 mt -62.55 -40.09 95.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 0.0 109.662 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.5 p -63.52 -40.0 95.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -0.958 . . . . 0.0 110.014 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.27 -39.95 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.0 -43.49 95.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 110.139 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -49.45 78.41 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.281 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.163 -1.198 . . . . 0.0 110.015 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.24 -40.03 88.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.678 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.0 -41.3 91.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 0.0 109.773 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.66 -40.04 90.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.998 -1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.01 -41.22 91.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 109.908 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 30.8 p -60.08 -40.23 88.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.728 -1.232 . . . . 0.0 108.152 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.508 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 31.5 mtt-85 -63.89 -40.02 95.54 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.1 -40.18 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.393 -0.817 . . . . 0.0 109.166 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -60.01 -40.0 87.71 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.037 -1.039 . . . . 0.0 109.053 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.632 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.77 -40.96 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.252 -0.905 . . . . 0.0 111.304 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.401 ' H ' ' HG2' ' C' ' 46' ' ' GLU . 8.3 pt-20 -62.91 -38.82 92.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.579 -1.326 . . . . 0.0 108.452 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.03 -45.07 94.02 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.234 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 49.2 m-85 -65.8 -39.3 90.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.09 -1.006 . . . . 0.0 110.015 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.84 -38.56 82.39 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.98 -39.98 87.59 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.03 -39.17 84.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.326 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.658 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.813 -1.179 . . . . 0.0 109.109 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.42 84.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.768 -1.207 . . . . 0.0 108.115 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.91 -39.76 86.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.0 108.86 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 mt -69.55 118.54 12.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 108.8 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 32.7 m120 -133.54 -64.5 0.71 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.394 -0.816 . . . . 0.0 110.43 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.791 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.79 117.88 4.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.105 -0.997 . . . . 0.0 110.008 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.816 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.0 m95 -100.59 129.6 46.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.331 -0.856 . . . . 0.0 110.109 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 63.8 21.8 65.67 Favored Glycine 0 N--CA 1.488 2.144 0 C-N-CA 119.983 -1.104 . . . . 0.0 110.682 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.465 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.8 23.63 0.16 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.583 -1.539 . . . . 0.0 108.708 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.27 111.06 2.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.424 -0.797 . . . . 0.0 109.229 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 62' ' ' PHE . . . . . 0.449 ' CD2' ' NE2' ' A' ' 64' ' ' GLN . 34.6 m-85 -121.34 11.54 10.76 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.323 -0.86 . . . . 0.0 110.418 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.86 25.2 2.15 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' B' ' 62' ' ' PHE . 31.5 mt-30 -143.84 152.61 41.39 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -101.9 57.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.99 -1.069 . . . . 0.0 108.611 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.23 40.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.521 -0.737 . . . . 0.0 109.906 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -129.66 133.47 47.12 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.408 ' H ' HG22 ' C' ' 68' ' ' THR . 0.0 OUTLIER -90.17 113.02 24.72 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.643 -1.286 . . . . 0.0 110.272 -178.635 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.512 HG23 ' O ' ' C' ' 69' ' ' THR . 9.9 t -112.84 122.02 46.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.54 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 67.5 t -125.52 84.3 60.42 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.526 -0.734 . . . . 0.0 109.614 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.5 63.46 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.565 2.176 . . . . 0.0 110.836 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.7 t90 -67.12 134.0 93.64 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.97 149.43 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.136 0 C-N-CA 121.734 1.623 . . . . 0.0 110.944 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.2 OUTLIER -130.38 -60.59 1.0 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.246 -0.908 . . . . 0.0 109.413 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.24 124.48 36.34 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.409 -0.807 . . . . 0.0 108.974 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.39 107.75 14.43 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -79.66 135.95 36.68 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.806 0.812 . . . . 0.0 110.199 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.557 HG23 ' O ' ' C' ' 78' ' ' THR . 6.7 t -90.54 115.29 63.81 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -92.29 -47.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.034 0 C-N-CA 121.652 1.568 . . . . 0.0 113.617 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.18 -44.13 2.29 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -60.36 -44.89 95.14 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.381 -1.45 . . . . 0.0 113.142 -175.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.578 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -76.59 -49.94 15.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.213 -1.554 . . . . 0.0 110.775 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -60.09 -49.94 75.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -47.06 87.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.925 -1.109 . . . . 0.0 109.32 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.451 HG23 ' O ' ' C' ' 81' ' ' TRP . 60.0 p -68.94 -39.89 79.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.256 -0.902 . . . . 0.0 109.784 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -66.61 -39.98 88.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.89 -1.131 . . . . 0.0 109.177 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.03 -42.09 93.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.909 -1.119 . . . . 0.0 108.26 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.12 -41.55 96.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.212 -0.93 . . . . 0.0 108.859 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.507 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.3 t90 -59.95 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 109.668 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.14 -41.63 97.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -40.97 96.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.375 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.27 -40.57 90.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.874 -1.141 . . . . 0.0 109.75 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.03 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.146 -0.971 . . . . 0.0 109.003 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.96 -47.58 85.2 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.391 -0.818 . . . . 0.0 110.194 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -61.83 -40.72 96.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.08 . . . . 0.0 109.623 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.47 -40.38 81.03 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.131 -0.981 . . . . 0.0 109.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.54 -45.29 94.82 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.281 -0.887 . . . . 0.0 109.238 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.33 -40.84 98.42 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.311 -0.868 . . . . 0.0 109.48 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.58 -42.23 95.76 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 0.0 109.127 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.46 -48.25 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.283 -0.886 . . . . 0.0 109.327 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -42.28 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -0.986 . . . . 0.0 109.406 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.93 75.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.26 -0.9 . . . . 0.0 109.363 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.43 -44.08 97.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.502 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.1 -41.78 97.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.157 -0.964 . . . . 0.0 109.591 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.84 -42.66 98.22 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.259 -0.901 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.97 87.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.314 -0.866 . . . . 0.0 109.745 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.0 -46.35 89.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.003 -1.061 . . . . 0.0 109.546 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.07 -49.0 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.299 -0.876 . . . . 0.0 109.316 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.72 -40.06 80.13 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.202 -0.936 . . . . 0.0 110.197 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -60.01 -49.87 75.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.031 -1.043 . . . . 0.0 110.036 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.19 -40.04 96.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.993 . . . . 0.0 109.618 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.12 -40.45 96.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.832 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.06 -44.52 96.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.004 -1.06 . . . . 0.0 109.47 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 55.0 ttp -65.56 -41.32 93.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.294 -0.879 . . . . 0.0 109.009 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.95 -49.05 79.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.405 -0.809 . . . . 0.0 109.733 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -40.2 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.56 -41.64 94.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.434 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -60.07 -41.43 92.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.811 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -59.95 -40.06 87.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.97 -48.33 82.16 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -116.64 58.08 0.77 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.479 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 m . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.033 . . . . 0.0 109.054 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.63 144.21 49.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.511 -0.743 . . . . 0.0 109.533 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -89.57 59.64 4.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 108.967 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.16 -40.0 95.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.444 -0.785 . . . . 0.0 109.518 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.05 -43.36 95.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.152 -0.968 . . . . 0.0 109.183 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' A' ' 5' ' ' THR . 63.5 tp -63.65 -41.72 98.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 0.0 108.411 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.88 -39.73 92.94 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.698 -0.626 . . . . 0.0 109.656 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.57 91.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.065 -1.022 . . . . 0.0 108.449 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.93 -44.35 68.59 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.11 -50.0 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -1.183 . . . . 0.0 110.541 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.15 -44.33 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.807 -1.183 . . . . 0.0 109.211 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.42 -40.0 89.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.91 -41.04 90.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.094 -1.004 . . . . 0.0 109.497 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.81 -41.61 96.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.047 -1.033 . . . . 0.0 109.379 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -46.03 90.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.409 -0.807 . . . . 0.0 109.515 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.89 -41.9 96.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 109.761 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.77 -40.46 97.36 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.186 -0.946 . . . . 0.0 109.404 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD11 HD23 ' A' ' 104' ' ' LEU . 63.2 tp -62.67 -41.62 99.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.175 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.98 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.19 -40.21 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.246 -0.908 . . . . 0.0 109.507 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -43.62 92.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.87 -40.26 94.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.49 -0.756 . . . . 0.0 109.07 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.3 mmt180 -60.68 -40.47 92.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.174 -0.954 . . . . 0.0 109.279 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.78 -39.95 90.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.172 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.05 -46.94 87.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.393 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.1 -40.42 94.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.155 -0.965 . . . . 0.0 109.349 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.77 -39.94 94.44 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.436 -0.79 . . . . 0.0 109.198 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.14 -40.33 89.44 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.156 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -40.18 91.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -0.987 . . . . 0.0 109.653 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.0 mt -63.25 -40.07 96.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.454 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.46 -40.07 95.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.964 -1.085 . . . . 0.0 109.301 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.72 -40.02 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.466 -0.771 . . . . 0.0 109.061 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.97 -43.62 94.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.353 -0.842 . . . . 0.0 110.122 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.97 -47.5 90.39 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.19 -50.03 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.253 . . . . 0.0 109.835 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.69 -40.23 91.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.1 -40.17 88.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.106 -0.996 . . . . 0.0 109.688 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.65 -40.06 90.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.9 -41.33 91.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -60.77 -40.57 93.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.899 -1.126 . . . . 0.0 109.036 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.536 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 33.9 mtt-85 -68.49 -39.98 81.12 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.445 -0.785 . . . . 0.0 109.081 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.98 -41.72 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.356 -0.84 . . . . 0.0 108.885 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.0 p -60.45 -39.93 89.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.069 -1.019 . . . . 0.0 109.301 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.65 94.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.155 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.97 -39.59 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.07 87.49 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.188 -0.945 . . . . 0.0 109.281 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.18 -43.48 95.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 109.378 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 60.5 m-85 -67.06 -40.01 86.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 109.671 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 82.9 mt -59.99 -39.98 87.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.751 -1.218 . . . . 0.0 108.05 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.61 -34.88 69.74 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.419 -1.426 . . . . 0.0 107.64 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -64.4 -28.24 69.55 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 6.5 tt0 -57.3 -45.93 83.68 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.94 87.42 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.277 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.48 117.33 16.18 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.137 -0.977 . . . . 0.0 108.861 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 34.5 m120 -133.25 -71.1 0.52 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.428 -0.795 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.615 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.1 117.38 4.21 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 109.56 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.648 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 94.2 m95 -101.14 131.41 47.1 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.318 -0.864 . . . . 0.0 111.181 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 61.55 25.05 64.75 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.85 23.75 0.16 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.607 -1.525 . . . . 0.0 109.431 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.18 114.12 2.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.067 -1.021 . . . . 0.0 109.784 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -122.2 11.6 10.16 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.275 -0.891 . . . . 0.0 108.815 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.3 2.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -147.37 152.52 38.31 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 t -101.97 58.86 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.67 158.32 43.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.506 -0.746 . . . . 0.0 109.816 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -129.68 134.09 47.46 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 68' ' ' THR . 7.7 t -89.91 111.53 22.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 109.109 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.02 43.88 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.473 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 60.9 t -125.78 81.79 65.0 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 121.453 -0.779 . . . . 0.0 109.518 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -85.51 60.12 5.19 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.892 2.394 . . . . 0.0 111.628 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.532 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 29.8 t90 -71.78 131.47 85.88 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.528 -0.732 . . . . 0.0 109.59 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.532 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.0 Cg_exo -40.9 149.81 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.415 1.41 . . . . 0.0 110.978 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 9.4 t-20 -130.42 -43.5 1.15 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.142 -0.974 . . . . 0.0 109.564 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.35 125.16 39.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.286 -0.884 . . . . 0.0 109.075 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -81.7 108.31 15.14 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.93 134.56 34.66 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.541 0.686 . . . . 0.0 110.165 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 78' ' ' THR . 5.7 t -93.61 113.39 60.17 Favored Pre-proline 0 N--CA 1.495 1.793 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.11 -48.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.575 1.517 . . . . 0.0 113.71 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -121.39 -44.04 2.38 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.05 -50.18 74.74 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.306 -1.496 . . . . 0.0 112.806 -175.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.2 t30 -70.25 -43.79 69.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.922 -1.737 . . . . 0.0 109.938 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -60.06 -50.12 74.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 111.104 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.42 -40.17 95.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.86 -1.15 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.9 p -70.14 -39.97 75.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.687 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.479 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -68.26 -39.94 82.08 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.35 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.08 -42.03 93.73 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.641 -1.287 . . . . 0.0 108.585 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.14 -42.81 95.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -60.03 -49.87 75.97 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.84 -40.03 95.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.109 -0.995 . . . . 0.0 109.37 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -61.18 -42.45 98.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.145 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.01 -43.5 95.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.825 -1.172 . . . . 0.0 108.34 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.01 -41.89 87.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.17 -44.8 94.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.281 -0.887 . . . . 0.0 110.614 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.26 -40.05 86.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.86 -1.15 . . . . 0.0 109.734 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.47 -39.94 81.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.056 -1.028 . . . . 0.0 108.995 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 101' ' ' THR . 86.4 tt0 -60.22 -45.07 94.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.58 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -46.26 90.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 0.0 109.714 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.461 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -60.02 -45.61 92.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.216 -0.928 . . . . 0.0 109.502 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -46.92 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.766 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 97' ' ' GLU . 75.5 p -59.95 -42.47 94.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.913 -1.117 . . . . 0.0 109.103 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -50.0 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.326 -0.859 . . . . 0.0 109.601 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.03 -43.81 95.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.846 . . . . 0.0 109.543 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.446 HD23 HD11 ' A' ' 18' ' ' LEU . 82.7 mt -61.18 -42.71 99.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 0.0 109.535 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.35 -43.49 96.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.14 -0.975 . . . . 0.0 109.55 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -68.16 -39.94 82.47 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.149 -0.969 . . . . 0.0 108.862 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.47 91.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.03 -47.6 85.19 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.051 -1.031 . . . . 0.0 109.37 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.99 -50.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.193 -0.942 . . . . 0.0 109.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.43 -40.15 85.47 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.411 -0.805 . . . . 0.0 110.249 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -59.92 -49.73 76.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.916 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.042 -1.036 . . . . 0.0 109.563 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.2 -39.86 89.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 109.842 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.1 -40.77 94.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.859 -1.15 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.04 -40.01 75.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.04 . . . . 0.0 108.891 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.08 -44.18 94.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 0.0 109.19 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.16 -40.1 88.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.028 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.01 -40.1 88.1 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.4 mt-30 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.0 109.686 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.99 -39.97 87.56 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.15 -0.969 . . . . 0.0 109.724 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.95 -47.57 85.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.56 61.18 1.32 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.081 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.26 144.34 50.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.458 -0.777 . . . . 0.0 109.486 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -89.53 59.68 4.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.95 . . . . 0.0 108.931 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -64.25 -40.04 95.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.825 . . . . 0.0 109.531 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.532 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.8 t -60.15 -42.75 95.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.23 -0.919 . . . . 0.0 109.324 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.532 ' N ' HG23 ' B' ' 5' ' ' THR . 63.8 tp -64.49 -41.03 96.7 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.27 -39.82 94.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.641 -0.662 . . . . 0.0 109.597 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.44 92.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.066 -1.021 . . . . 0.0 108.476 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -44.51 69.29 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.2 -49.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.289 -1.124 . . . . 0.0 110.518 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.09 -44.29 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.72 -1.238 . . . . 0.0 109.126 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -60.25 -40.06 88.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.331 -0.856 . . . . 0.0 109.76 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -41.34 91.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.217 -0.927 . . . . 0.0 109.488 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.57 -41.64 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.07 -45.88 91.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.0 109.411 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.87 -41.85 96.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.75 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.89 -41.04 99.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.31 -0.869 . . . . 0.0 109.341 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.449 HD11 HD23 ' B' ' 104' ' ' LEU . 62.6 tp -62.14 -41.66 98.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.14 -0.975 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -48.27 82.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.374 -0.829 . . . . 0.0 109.967 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.75 -39.98 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.35 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -43.43 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.09 -40.06 94.58 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.544 -0.723 . . . . 0.0 109.063 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.493 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.4 mmt180 -60.92 -40.41 93.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 109.304 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.7 -39.98 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.862 . . . . 0.0 109.192 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -60.02 -47.01 87.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.13 -40.33 94.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.079 -1.013 . . . . 0.0 109.332 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.74 -40.05 94.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.383 -0.823 . . . . 0.0 109.115 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.04 -40.33 89.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.383 -0.823 . . . . 0.0 109.26 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.79 -40.27 92.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.579 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.544 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.8 mt -63.27 -39.99 96.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.3 p -64.3 -40.02 95.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.982 -1.074 . . . . 0.0 109.299 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.07 -39.96 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.432 -0.792 . . . . 0.0 109.141 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -60.01 -43.36 95.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.382 -0.824 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.93 -47.76 89.03 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.04 -49.94 75.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -1.207 . . . . 0.0 109.93 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -60.9 -40.21 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.974 -1.079 . . . . 0.0 109.952 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.08 -40.11 88.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 109.581 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.69 -39.95 90.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.16 -0.963 . . . . 0.0 109.821 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.474 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' B' ' 43' ' ' THR . 65.7 p -60.64 -40.8 93.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.891 -1.131 . . . . 0.0 109.032 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 33.1 mtt-85 -68.34 -40.03 81.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.04 -41.76 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.935 . . . . 0.0 108.767 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 55.4 p -60.31 -40.03 89.08 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.07 -1.019 . . . . 0.0 109.377 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.69 94.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 0.0 109.12 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.97 -39.54 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.71 -40.07 86.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.273 -0.892 . . . . 0.0 109.264 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -60.37 -43.07 96.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.897 -1.127 . . . . 0.0 109.523 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 60.4 m-85 -67.48 -40.03 85.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 109.683 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' B' ' 52' ' ' GLN . 83.5 mt -60.01 -39.92 87.46 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.779 -1.201 . . . . 0.0 107.995 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.75 -34.84 69.97 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.452 -1.405 . . . . 0.0 107.644 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -64.36 -28.42 69.68 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 6.5 tt0 -56.96 -46.02 82.45 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.0 87.81 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.849 . . . . 0.0 109.196 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -74.46 117.23 16.04 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.122 -0.986 . . . . 0.0 108.849 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 35.2 m120 -133.08 -70.8 0.53 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.31 -0.869 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.648 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.22 117.25 4.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.29 -0.881 . . . . 0.0 109.578 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.64 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 94.0 m95 -101.2 131.57 47.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.29 -0.881 . . . . 0.0 111.16 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.58 24.98 64.71 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.97 23.71 0.17 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.651 -1.499 . . . . 0.0 109.456 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.08 114.34 2.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.159 -0.963 . . . . 0.0 109.725 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -122.42 11.66 10.01 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.33 -0.856 . . . . 0.0 108.835 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.16 2.77 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -147.12 152.59 38.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.055 -1.028 . . . . 0.0 108.235 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 t -101.95 58.73 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.63 158.16 43.11 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.507 -0.746 . . . . 0.0 109.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.49 134.09 47.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.574 HG23 ' O ' ' B' ' 68' ' ' THR . 7.8 t -89.9 111.72 22.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.744 -1.222 . . . . 0.0 109.127 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.12 120.94 43.51 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 61.4 t -125.72 81.75 64.83 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.463 -0.773 . . . . 0.0 109.522 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.55 60.14 5.16 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.888 2.392 . . . . 0.0 111.639 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.529 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 31.1 t90 -71.75 131.4 86.0 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.518 -0.739 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.529 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.4 Cg_exo -40.81 149.76 0.15 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.489 1.46 . . . . 0.0 110.852 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 9.4 t-20 -130.37 -43.23 1.16 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.158 -0.964 . . . . 0.0 109.546 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.33 125.18 39.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.842 . . . . 0.0 109.148 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -81.8 108.29 15.22 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -84.04 134.65 34.62 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.613 0.72 . . . . 0.0 110.161 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.567 HG23 ' O ' ' B' ' 78' ' ' THR . 5.8 t -93.62 113.38 60.15 Favored Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.596 -0.69 . . . . 0.0 109.186 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -90.3 -48.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.037 0 C-N-CA 121.506 1.471 . . . . 0.0 113.716 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -121.38 -44.26 2.37 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.01 -50.1 75.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.25 -1.531 . . . . 0.0 112.896 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.3 t30 -70.41 -43.75 69.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 119.937 -1.727 . . . . 0.0 109.914 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.96 -50.04 75.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.231 -0.918 . . . . 0.0 110.98 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.61 -40.24 95.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.806 -1.184 . . . . 0.0 109.969 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.2 p -70.06 -39.95 75.35 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.16 -0.963 . . . . 0.0 109.765 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.489 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.3 t-105 -68.08 -40.05 82.75 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.074 -1.016 . . . . 0.0 109.353 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.02 -42.16 93.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.732 -1.23 . . . . 0.0 108.531 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -42.86 95.56 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.1 t90 -59.96 -50.0 75.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.479 -0.763 . . . . 0.0 109.102 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.76 -40.27 96.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.309 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -60.75 -42.69 97.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.28 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.04 -43.36 95.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.904 -1.123 . . . . 0.0 108.406 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.06 -41.8 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.236 -0.915 . . . . 0.0 109.322 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.12 -44.84 94.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.462 -0.774 . . . . 0.0 110.633 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.3 -40.02 86.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.799 -1.188 . . . . 0.0 109.693 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.37 -40.11 81.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.058 -1.026 . . . . 0.0 109.008 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 109.582 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -46.01 90.87 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.211 -0.931 . . . . 0.0 109.704 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.7 t-20 -59.9 -45.89 91.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 109.541 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -46.85 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.197 -0.94 . . . . 0.0 109.82 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 75.9 p -59.95 -42.33 93.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.058 -1.026 . . . . 0.0 109.134 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -49.95 75.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.607 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.09 -43.64 95.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.601 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.449 HD23 HD11 ' B' ' 18' ' ' LEU . 83.2 mt -61.29 -42.98 99.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.17 -0.956 . . . . 0.0 109.417 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.1 -43.52 95.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.101 -0.999 . . . . 0.0 109.461 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.13 -40.02 82.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.208 -0.933 . . . . 0.0 109.053 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.66 91.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.222 -0.924 . . . . 0.0 109.659 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -47.73 84.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.018 -1.051 . . . . 0.0 109.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -59.97 -49.79 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.261 -0.9 . . . . 0.0 109.178 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.76 -39.96 84.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 110.249 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.04 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.179 -0.951 . . . . 0.0 109.741 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 0.5 OUTLIER -63.52 -40.06 96.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.053 . . . . 0.0 109.709 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.91 -39.96 91.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.239 -0.913 . . . . 0.0 109.826 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -60.85 -40.93 94.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.876 -1.14 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.96 -40.06 75.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 108.875 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.17 -44.19 95.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.798 . . . . 0.0 109.196 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.11 -0.994 . . . . 0.0 109.052 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.99 -40.16 88.19 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -60.07 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.216 -0.927 . . . . 0.0 109.719 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.99 -39.95 87.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 0.0 109.677 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.95 -47.62 85.04 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -126.76 61.19 1.33 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.879 -1.057 . . . . 0.0 109.072 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.73 144.56 49.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.477 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' C' ' 3' ' ' SER . 23.8 p -89.71 59.76 4.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.416 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.541 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.0 t -60.08 -43.02 95.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.279 -0.888 . . . . 0.0 109.241 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.541 ' N ' HG23 ' C' ' 5' ' ' THR . 63.0 tp -64.31 -41.32 96.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.112 -0.992 . . . . 0.0 108.393 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.01 -39.8 93.52 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.651 -0.656 . . . . 0.0 109.616 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.44 91.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.076 -1.015 . . . . 0.0 108.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -44.24 68.63 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.19 -50.02 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 110.426 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.16 -44.44 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 109.201 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.827 . . . . 0.0 109.841 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.108 -0.995 . . . . 0.0 109.446 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.24 -41.83 93.96 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.993 -1.067 . . . . 0.0 109.317 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.04 -46.11 90.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.402 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.73 -42.03 96.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.157 -0.964 . . . . 0.0 109.746 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -40.8 98.32 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.446 HD11 HD23 ' C' ' 104' ' ' LEU . 62.8 tp -62.35 -41.63 98.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.251 -0.906 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.02 -48.81 80.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.11 -40.1 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.0 109.466 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -43.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.74 -40.27 94.52 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.461 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.1 mmt180 -60.79 -40.78 93.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 109.164 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.52 -39.98 89.76 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.196 -0.94 . . . . 0.0 109.131 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.03 -47.12 87.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.0 109.459 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.99 -40.27 94.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 0.0 109.324 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.89 -40.0 94.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.402 -0.811 . . . . 0.0 109.014 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.93 -40.39 88.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.366 -0.834 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.64 -40.57 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.25 -0.907 . . . . 0.0 109.63 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.539 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.7 mt -62.89 -39.95 96.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.171 -0.955 . . . . 0.0 109.537 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.7 p -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.982 -1.074 . . . . 0.0 109.202 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.89 -40.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.305 -0.872 . . . . 0.0 109.188 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -60.06 -43.4 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 0.0 110.055 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -47.65 89.65 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.08 -50.0 75.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -1.204 . . . . 0.0 109.786 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -60.74 -40.31 91.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -59.98 -40.53 89.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.987 . . . . 0.0 109.576 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.2 -40.05 88.7 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 109.875 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.983 -1.073 . . . . 0.0 109.423 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -60.41 -40.86 92.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.884 -1.135 . . . . 0.0 109.053 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 33.0 mtt-85 -68.38 -39.96 81.55 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.32 -0.862 . . . . 0.0 109.136 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.96 -41.74 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.181 -0.949 . . . . 0.0 108.952 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 50.5 p -60.32 -40.02 89.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 109.305 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.39 94.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.16 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.98 -39.7 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.04 87.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.127 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.27 -43.41 96.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.053 -1.029 . . . . 0.0 109.342 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 60.5 m-85 -67.17 -40.02 86.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.9 . . . . 0.0 109.695 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' C' ' 52' ' ' GLN . 83.5 mt -59.92 -40.06 87.57 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.763 -1.211 . . . . 0.0 108.006 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.65 -34.82 69.75 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.416 -1.427 . . . . 0.0 107.67 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -64.45 -28.2 69.51 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 6.5 tt0 -57.31 -45.97 83.67 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.401 -0.812 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.61 117.3 16.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.008 -1.057 . . . . 0.0 108.848 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.481 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 34.9 m120 -133.32 -70.83 0.52 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.297 -0.877 . . . . 0.0 110.411 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.64 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.32 117.45 4.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.0 109.534 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.615 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 93.8 m95 -101.24 131.61 47.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.324 -0.86 . . . . 0.0 111.09 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 61.44 25.2 64.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.01 23.62 0.17 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.662 -1.493 . . . . 0.0 109.448 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -159.13 114.17 2.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -122.18 11.6 10.17 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.323 -0.86 . . . . 0.0 108.898 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 24.1 ttt180 -138.08 22.08 2.82 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -147.13 152.6 38.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 108.306 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -101.83 58.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.58 158.18 43.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.502 -0.749 . . . . 0.0 109.998 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.37 134.16 47.74 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.596 HG23 ' O ' ' C' ' 68' ' ' THR . 7.7 t -89.93 111.87 23.07 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.7 -1.25 . . . . 0.0 109.124 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.27 120.94 43.44 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.481 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 62.7 t -125.72 81.57 65.1 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -85.44 60.16 5.26 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.832 2.355 . . . . 0.0 111.669 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.526 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 30.3 t90 -71.71 131.52 85.96 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 109.585 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.526 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 78.5 Cg_exo -40.83 149.75 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.527 1.484 . . . . 0.0 110.876 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 9.5 t-20 -130.45 -42.97 1.16 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.191 -0.943 . . . . 0.0 109.574 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.84 125.35 40.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.275 -0.89 . . . . 0.0 109.06 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.4 t -81.64 108.34 15.12 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.2 mt -84.11 134.84 34.58 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.65 0.738 . . . . 0.0 110.102 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.548 HG23 ' O ' ' C' ' 78' ' ' THR . 5.8 t -93.8 113.19 59.8 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.561 -0.712 . . . . 0.0 109.237 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -90.12 -48.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.563 1.509 . . . . 0.0 113.777 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.33 -44.05 2.39 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -60.1 -50.02 75.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.305 -1.497 . . . . 0.0 112.903 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.8 t30 -70.45 -43.56 69.58 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 119.852 -1.78 . . . . 0.0 109.802 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -60.27 -49.95 75.59 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.29 -0.881 . . . . 0.0 110.988 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.29 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.749 -1.219 . . . . 0.0 109.894 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 40.4 p -69.99 -40.05 75.55 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.487 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 37.1 t-105 -68.08 -39.95 82.79 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.41 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.682 -1.261 . . . . 0.0 108.58 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.08 -42.78 95.35 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.544 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 62.4 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.491 -0.755 . . . . 0.0 108.996 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.8 -40.17 96.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.357 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -60.79 -42.72 98.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.0 -43.24 95.32 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.473 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.17 -41.56 87.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 0.0 109.306 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.33 -44.97 95.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.235 -0.916 . . . . 0.0 110.65 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -67.27 -39.93 86.13 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.802 -1.186 . . . . 0.0 109.72 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.3 -40.13 81.82 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 109.088 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' C' ' 101' ' ' THR . 86.4 tt0 -60.23 -44.98 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.579 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -46.18 90.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.284 -0.885 . . . . 0.0 109.676 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.493 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.6 t-20 -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -46.97 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.343 -0.848 . . . . 0.0 109.764 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' C' ' 97' ' ' GLU . 76.4 p -60.02 -42.46 94.41 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.088 -1.007 . . . . 0.0 109.063 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.97 75.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.634 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.02 -43.85 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.632 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.446 HD23 HD11 ' C' ' 18' ' ' LEU . 82.2 mt -61.32 -42.74 99.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 0.0 109.443 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.0 109.656 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.17 -40.05 82.39 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.254 -0.904 . . . . 0.0 108.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.52 91.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.279 -0.888 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.13 -47.39 86.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.091 -1.005 . . . . 0.0 109.438 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 109.247 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -67.56 -40.1 84.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.434 -0.791 . . . . 0.0 110.184 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -60.01 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 109.917 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 112' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 0.5 OUTLIER -63.42 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.975 -1.078 . . . . 0.0 109.602 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.13 -39.99 90.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.131 -0.981 . . . . 0.0 109.804 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -60.6 -41.17 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.945 -1.097 . . . . 0.0 109.522 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.0 -40.0 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.065 -1.022 . . . . 0.0 108.922 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.05 -44.15 94.9 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.17 -39.93 88.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.176 -0.952 . . . . 0.0 109.168 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.06 -40.08 88.23 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.555 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.6 mt-30 -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.677 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 109.754 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.76 -47.59 85.05 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -126.6 61.09 1.32 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.659 -0.651 . . . . 0.0 109.254 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.555 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 117.888 -1.054 . . . . 0.0 109.176 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.527 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.0 mt-30 -69.54 144.01 53.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 109.117 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.06 60.28 5.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.104 -0.997 . . . . 0.0 108.887 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.91 -40.0 87.58 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.513 -0.742 . . . . 0.0 109.443 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -61.09 -42.28 98.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.56 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 5' ' ' THR . 61.9 tp -60.76 -42.61 97.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 108.953 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.2 mt -60.04 -39.98 87.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.456 -0.778 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.173 -0.954 . . . . 0.0 108.672 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.32 -47.1 45.76 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -48.82 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.143 -1.21 . . . . 0.0 109.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.02 -41.14 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.046 -1.034 . . . . 0.0 108.619 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.82 -40.04 91.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.562 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.0 -41.59 92.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.14 -0.975 . . . . 0.0 109.592 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.47 89.39 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.064 -1.023 . . . . 0.0 109.104 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.12 -43.37 95.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.484 -0.76 . . . . 0.0 109.779 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.11 -40.42 96.16 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.45 -40.83 95.91 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.985 . . . . 0.0 109.116 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.502 HD11 HD23 ' A' ' 104' ' ' LEU . 34.8 tp -60.08 -42.91 95.6 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.815 . . . . 0.0 109.135 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.3 t0 -60.07 -46.3 90.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.398 -0.814 . . . . 0.0 110.209 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.01 -39.99 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.0 109.822 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.4 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.128 -0.983 . . . . 0.0 108.465 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.02 -40.02 94.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HG2' HH11 ' A' ' 23' ' ' ARG . 23.2 mmt-85 -60.0 -40.3 88.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 109.136 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.29 85.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.293 -0.88 . . . . 0.0 108.924 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -59.92 -48.96 79.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.888 . . . . 0.0 110.04 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.65 -40.39 95.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.72 -1.237 . . . . 0.0 109.674 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.67 -42.32 96.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 109.423 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.05 -40.05 88.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.237 -0.914 . . . . 0.0 110.035 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.056 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -64.19 -40.73 96.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 109.661 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.0 p -63.16 -39.99 96.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.072 -1.017 . . . . 0.0 109.397 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.04 -39.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.307 -0.87 . . . . 0.0 108.984 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.15 -42.54 95.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.776 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.32 -47.69 89.84 Favored Glycine 0 N--CA 1.488 2.133 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -49.92 75.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.918 -1.342 . . . . 0.0 109.202 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.8 -39.97 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 40' ' ' THR . 17.3 t30 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 109.715 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 38' ' ' LEU . 88.6 mt -59.92 -40.11 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 0.0 108.376 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.92 -39.85 86.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.44 -0.788 . . . . 0.0 109.268 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 60.5 p -59.74 -40.21 87.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.735 -1.228 . . . . 0.0 108.623 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.533 HH22 ' CG ' ' B' ' 82' ' ' ASN . 45.3 mtt-85 -62.64 -39.92 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.843 -1.161 . . . . 0.0 108.684 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.06 -42.98 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 109.058 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.9 p -59.91 -40.3 88.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.034 -1.041 . . . . 0.0 109.139 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.4 75.72 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.427 -1.421 . . . . 0.0 109.204 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.11 -40.02 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.64 -39.99 90.34 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.673 -1.267 . . . . 0.0 108.502 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.17 -41.99 97.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.019 -1.051 . . . . 0.0 109.188 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 42.0 m-85 -64.67 -39.74 94.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 109.509 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.85 -37.59 79.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.876 -1.14 . . . . 0.0 108.118 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.0 -39.32 85.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.787 -1.196 . . . . 0.0 108.167 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -59.22 -39.84 83.99 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.871 -1.143 . . . . 0.0 108.168 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.08 -39.39 85.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 108.799 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.74 -34.28 62.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.886 -1.134 . . . . 0.0 108.82 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.43 -39.9 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.64 116.9 17.74 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -132.41 -69.43 0.58 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.264 -0.897 . . . . 0.0 109.204 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.45 87.56 1.32 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -100.45 126.62 46.87 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.772 -0.58 . . . . 0.0 109.971 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 110.63 -4.26 29.33 Favored Glycine 0 N--CA 1.498 2.814 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.664 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.43 25.71 0.31 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.0 -1.883 . . . . 0.0 109.366 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.45 102.57 14.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.585 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 17.7 m-85 -107.34 7.49 29.21 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.827 -1.171 . . . . 0.0 109.864 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.68 24.59 0.28 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.5 152.49 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.723 -0.611 . . . . 0.0 109.477 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.95 57.53 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 159.93 44.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.504 -0.748 . . . . 0.0 109.969 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -119.49 134.48 55.2 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.29 121.63 37.15 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.767 0.794 . . . . 0.0 110.916 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.27 123.05 49.09 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' TRP . 20.4 t -125.59 83.43 61.93 Favored Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.353 -0.842 . . . . 0.0 109.811 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.89 65.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 122.939 2.426 . . . . 0.0 112.122 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 47.5 t90 -68.73 130.07 92.04 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.077 -1.014 . . . . 0.0 108.657 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 57.3 Cg_exo -36.89 147.91 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.761 1.64 . . . . 0.0 111.946 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 40.5 t-20 -130.12 -60.1 1.03 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.461 -0.775 . . . . 0.0 109.49 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.69 126.2 36.69 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.042 -1.036 . . . . 0.0 108.994 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 p -80.51 108.57 14.25 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.78 136.14 35.43 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.401 0.62 . . . . 0.0 109.96 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -91.94 112.26 53.91 Favored Pre-proline 0 N--CA 1.492 1.654 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -92.91 -48.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.84 1.693 . . . . 0.0 114.867 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.4 -44.27 2.37 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.379 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.5 p90 -60.01 -51.65 68.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.292 -1.505 . . . . 0.0 112.006 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 7.9 t-20 -79.58 -41.65 26.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.09 -1.631 . . . . 0.0 110.075 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.02 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.267 -0.896 . . . . 0.0 109.844 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.94 -48.4 81.84 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.087 -1.008 . . . . 0.0 109.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 81' ' ' TRP . 71.5 p -65.31 -40.25 93.53 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.285 -0.884 . . . . 0.0 109.774 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -60.56 -39.95 89.85 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.055 -1.028 . . . . 0.0 109.373 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -42.1 93.53 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.853 -1.155 . . . . 0.0 108.288 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.0 -39.99 94.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.245 -0.909 . . . . 0.0 109.009 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.441 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -59.97 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.64 -44.2 96.65 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -42.62 98.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 110.864 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.43 -42.51 96.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.776 -1.203 . . . . 0.0 109.383 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.57 -41.15 86.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.077 -1.014 . . . . 0.0 108.706 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.66 -45.12 95.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.496 -0.753 . . . . 0.0 110.686 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -63.84 -41.95 97.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.811 -1.181 . . . . 0.0 109.684 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.66 -41.1 92.9 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.997 -1.065 . . . . 0.0 108.778 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.11 -48.28 82.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.374 -0.829 . . . . 0.0 109.137 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.27 -44.51 95.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.396 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.26 -44.31 95.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.519 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.18 -45.27 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.408 -0.808 . . . . 0.0 109.329 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.8 p -60.67 -41.97 96.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.259 -0.901 . . . . 0.0 109.889 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.33 99.05 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.036 . . . . 0.0 109.165 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.94 -42.21 90.33 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.502 HD23 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -61.14 -46.66 89.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.086 -1.009 . . . . 0.0 108.738 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.99 -41.28 96.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.538 -0.726 . . . . 0.0 109.432 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.88 95.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.401 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 26.0 mm100 -60.1 -46.72 88.68 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.411 -0.806 . . . . 0.0 109.491 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.92 -49.95 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.132 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.33 -40.17 93.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.942 . . . . 0.0 109.22 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.94 -49.46 77.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.505 -0.747 . . . . 0.0 109.439 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.18 -40.66 98.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.946 . . . . 0.0 109.278 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -63.14 -40.07 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.431 -0.793 . . . . 0.0 109.634 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.75 -40.53 84.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.959 -1.088 . . . . 0.0 109.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -69.19 -40.08 78.3 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.92 -47.47 85.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.88 -40.09 91.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.02 -41.79 92.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.9 mt-30 -60.34 -40.49 90.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.745 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -60.39 -39.94 89.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.183 -0.948 . . . . 0.0 109.219 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.82 -49.04 79.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -115.94 56.98 0.76 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.403 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 95.9 mt-30 -69.73 143.99 52.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.892 . . . . 0.0 109.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.25 60.32 5.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.112 -0.993 . . . . 0.0 108.821 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.86 -40.02 87.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.535 -0.728 . . . . 0.0 109.519 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -61.24 -42.27 98.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.204 -0.935 . . . . 0.0 109.527 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' B' ' 5' ' ' THR . 61.8 tp -60.65 -42.55 97.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.141 -0.974 . . . . 0.0 108.851 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.51 -0.743 . . . . 0.0 109.772 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.199 -0.938 . . . . 0.0 108.668 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.43 -47.03 45.27 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -48.88 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.257 -1.143 . . . . 0.0 109.809 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.94 -41.33 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.125 -0.984 . . . . 0.0 108.589 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.79 -39.94 90.76 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.559 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -59.99 -41.52 92.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 109.675 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.08 -40.41 89.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.968 . . . . 0.0 109.005 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.06 -43.25 95.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.787 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.09 -40.75 96.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.101 -1.0 . . . . 0.0 109.908 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.09 -40.83 95.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.506 HD11 HD23 ' B' ' 104' ' ' LEU . 34.3 tp -60.21 -43.0 96.33 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.509 -0.744 . . . . 0.0 109.084 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.97 -46.33 89.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 110.202 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.99 -40.09 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 109.894 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 67.0 t -59.94 -40.67 83.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.153 -0.967 . . . . 0.0 108.568 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.0 -40.01 94.19 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.304 0.573 . . . . 0.0 109.454 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.445 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 23.9 mmt-85 -60.11 -40.27 89.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.384 -0.823 . . . . 0.0 109.02 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.97 -39.58 86.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.387 -0.821 . . . . 0.0 108.869 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.93 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -64.71 -40.37 95.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.774 -1.204 . . . . 0.0 109.605 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.59 -42.48 96.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.468 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.17 -39.89 88.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.242 -0.911 . . . . 0.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.0 108.98 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.1 mt -64.17 -40.92 97.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 58.1 p -62.83 -39.99 96.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.122 -0.986 . . . . 0.0 109.445 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.16 -39.9 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.04 -42.79 95.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.807 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.62 90.12 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.624 -1.274 . . . . 0.0 110.195 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -50.01 75.42 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.006 -1.29 . . . . 0.0 109.252 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -61.04 -39.95 91.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.299 -0.875 . . . . 0.0 109.148 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -59.96 -40.14 88.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.275 -0.891 . . . . 0.0 109.672 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.98 -39.94 87.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.04 -1.037 . . . . 0.0 108.399 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.09 -39.89 87.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.391 -0.818 . . . . 0.0 109.242 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 59.6 p -59.62 -40.19 86.74 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.73 -1.231 . . . . 0.0 108.587 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.3 mtt-85 -62.7 -40.0 95.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.858 -1.151 . . . . 0.0 108.587 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.03 -42.8 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -59.97 -40.27 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -1.0 . . . . 0.0 109.161 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.4 75.22 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.307 -1.496 . . . . 0.0 109.21 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.98 -40.12 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 110.657 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.63 -40.03 90.4 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.633 -1.227 . . . . 0.0 108.54 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.04 -41.57 96.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.935 -1.103 . . . . 0.0 109.339 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 41.8 m-85 -65.15 -39.93 93.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.342 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 49' ' ' LEU . 64.9 mt -59.82 -37.43 79.14 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.842 -1.161 . . . . 0.0 108.177 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.97 -39.38 85.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 108.195 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.31 -39.77 84.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.811 -1.181 . . . . 0.0 108.041 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.525 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.55 86.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.893 -1.129 . . . . 0.0 108.773 178.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.68 -34.17 61.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.834 -1.166 . . . . 0.0 108.819 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.63 -39.88 85.75 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.73 117.15 18.06 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -132.64 -69.23 0.58 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.188 -0.945 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.6 87.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -100.25 126.35 46.54 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.815 -0.553 . . . . 0.0 109.977 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 110.82 -4.35 29.05 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.785 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.45 25.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.012 -1.875 . . . . 0.0 109.364 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.566 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.45 102.23 14.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.441 -0.787 . . . . 0.0 109.562 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.56 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 18.4 m-85 -106.97 7.51 29.97 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.862 -1.149 . . . . 0.0 109.909 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -157.78 24.56 0.27 Allowed 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -144.54 152.59 40.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.661 -0.649 . . . . 0.0 109.51 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -111.01 57.5 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.88 159.95 43.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.489 -0.757 . . . . 0.0 109.984 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.46 134.43 55.22 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.41 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -95.21 121.64 37.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.416 -0.803 . . . . 0.0 110.788 -178.081 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.21 123.14 49.23 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' B' ' 72' ' ' TRP . 20.4 t -125.67 83.34 62.31 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.319 -0.863 . . . . 0.0 109.713 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.85 65.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.885 2.39 . . . . 0.0 112.043 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' B' ' 70' ' ' VAL . 47.7 t90 -68.67 130.36 91.93 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.896 -1.127 . . . . 0.0 108.705 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 62.4 Cg_exo -37.13 147.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.585 1.523 . . . . 0.0 112.005 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 40.7 t-20 -130.3 -60.15 1.01 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.427 -0.796 . . . . 0.0 109.51 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.56 126.16 36.55 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.829 -1.169 . . . . 0.0 109.025 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.1 p -80.35 108.44 13.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 mt -81.74 136.1 35.47 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.453 0.644 . . . . 0.0 109.888 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.668 HG23 ' O ' ' B' ' 78' ' ' THR . 14.0 t -91.86 112.25 53.74 Favored Pre-proline 0 N--CA 1.492 1.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -92.89 -48.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 121.769 1.646 . . . . 0.0 114.952 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -121.24 -44.24 2.39 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.157 -0.964 . . . . 0.0 113.345 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.6 p90 -59.94 -51.52 69.34 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.31 -1.494 . . . . 0.0 112.075 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 8.0 t-20 -79.72 -41.44 26.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.11 -1.619 . . . . 0.0 109.956 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.942 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -48.6 81.03 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.111 -0.993 . . . . 0.0 109.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 81' ' ' TRP . 71.4 p -64.87 -39.99 94.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.135 -0.978 . . . . 0.0 109.901 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -60.95 -40.02 91.71 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.285 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -41.56 92.44 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.853 -1.155 . . . . 0.0 108.23 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.46 -39.98 95.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.485 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.5 t90 -59.99 -49.84 76.08 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.44 -44.63 95.6 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.32 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.66 -43.03 98.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.789 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.14 -42.19 94.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.682 -1.261 . . . . 0.0 109.611 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.92 -40.93 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 120.97 -1.081 . . . . 0.0 108.895 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.04 -44.89 96.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.518 -0.739 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -63.74 -41.7 97.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.728 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.9 90.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.123 -0.986 . . . . 0.0 108.819 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.27 -48.13 83.07 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.319 -0.863 . . . . 0.0 109.085 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -44.38 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.267 -0.895 . . . . 0.0 109.469 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.41 -44.14 96.02 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.307 -0.871 . . . . 0.0 109.512 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.46 -44.94 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 76.7 p -61.28 -41.02 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.924 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.89 99.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.148 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.65 -41.77 87.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.167 -0.958 . . . . 0.0 109.429 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.506 HD23 HD11 ' B' ' 18' ' ' LEU . 84.7 mt -61.5 -46.25 90.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.978 . . . . 0.0 108.752 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.07 -48.1 83.14 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.04 -41.17 96.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.98 95.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 108.86 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -60.05 -46.92 87.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.301 -0.874 . . . . 0.0 109.551 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.247 -0.908 . . . . 0.0 109.132 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -65.4 -40.08 93.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 109.152 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.95 -49.59 77.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.389 -0.819 . . . . 0.0 109.368 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -63.06 -40.81 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.977 . . . . 0.0 109.318 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.93 -40.06 96.48 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.22 82.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.922 -1.111 . . . . 0.0 109.366 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -39.93 77.81 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -60.01 -47.4 85.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.567 -0.708 . . . . 0.0 109.455 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.98 91.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 109.545 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.09 -41.71 93.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.285 -0.884 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.9 mt-30 -60.23 -40.37 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.52 -39.99 89.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.251 -0.906 . . . . 0.0 109.194 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.68 -49.28 78.34 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -115.62 56.77 0.75 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 1' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 95.7 mt-30 -69.66 144.11 53.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.977 . . . . 0.0 109.095 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -89.2 59.87 5.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.988 -1.07 . . . . 0.0 108.888 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.94 -40.02 87.47 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.537 -0.727 . . . . 0.0 109.645 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -61.03 -42.3 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.489 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' C' ' 5' ' ' THR . 62.1 tp -60.58 -42.7 97.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -0.872 . . . . 0.0 108.99 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.15 -39.97 88.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.699 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.91 86.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.114 -0.992 . . . . 0.0 108.734 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.05 44.24 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -48.96 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.184 -1.186 . . . . 0.0 109.688 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -59.98 -40.99 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 120.994 -1.066 . . . . 0.0 108.641 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.86 -40.06 91.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.429 -0.795 . . . . 0.0 109.576 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.01 -41.34 91.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.581 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.1 -40.47 89.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.99 . . . . 0.0 109.094 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.02 -43.32 95.34 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.347 -0.846 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.81 97.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.028 -1.045 . . . . 0.0 109.939 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.11 -41.0 95.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.244 -0.91 . . . . 0.0 109.17 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.507 HD11 HD23 ' C' ' 104' ' ' LEU . 34.0 tp -60.05 -43.16 95.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ASP . . . . . 0.451 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 55.6 t0 -59.97 -46.14 90.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.441 -0.787 . . . . 0.0 110.311 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.97 -40.04 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 109.79 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.02 -40.49 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.08 -1.012 . . . . 0.0 108.422 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.12 -40.07 94.65 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.451 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 23.7 mmt-85 -60.01 -40.24 88.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.02 -39.56 86.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 108.882 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -59.94 -48.77 80.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -0.94 . . . . 0.0 109.989 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -64.62 -40.07 94.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.643 -1.286 . . . . 0.0 109.681 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.23 -41.88 97.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.136 -0.978 . . . . 0.0 109.299 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.29 -40.01 88.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.1 -39.95 87.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 109.016 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.441 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.5 mt -64.1 -40.78 96.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.734 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.0 p -63.17 -39.99 96.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 109.43 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.05 -39.95 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -60.08 -42.62 94.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.376 -0.827 . . . . 0.0 109.889 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.16 -47.63 90.1 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.18 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -49.96 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.974 -1.309 . . . . 0.0 109.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.96 -40.07 91.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.219 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -59.91 -40.07 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.98 -39.95 87.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 108.506 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.04 -39.71 86.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.787 -1.196 . . . . 0.0 108.639 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' A' ' 82' ' ' ASN . 45.2 mtt-85 -62.75 -39.92 95.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.931 -1.106 . . . . 0.0 108.618 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.13 -42.69 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 81.6 p -60.05 -40.13 88.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.063 -1.023 . . . . 0.0 109.178 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.37 74.78 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.415 -1.428 . . . . 0.0 109.218 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.84 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.568 -0.708 . . . . 0.0 110.593 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -40.01 91.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.753 -1.217 . . . . 0.0 108.578 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.18 -41.64 97.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.971 -1.081 . . . . 0.0 109.191 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 42.2 m-85 -64.99 -39.89 94.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.956 -1.09 . . . . 0.0 109.42 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.0 mt -59.79 -37.41 79.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.184 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.93 -39.5 85.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.932 -1.105 . . . . 0.0 108.152 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.38 -39.66 84.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.873 -1.142 . . . . 0.0 108.142 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -59.99 -39.62 86.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.022 -1.049 . . . . 0.0 108.803 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.36 62.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.976 -1.078 . . . . 0.0 108.811 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.27 -39.85 84.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -76.75 117.07 18.0 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -132.57 -69.5 0.58 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.21 -0.931 . . . . 0.0 109.135 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.34 87.32 1.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -100.27 126.79 46.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.716 -0.615 . . . . 0.0 109.918 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 110.18 -3.74 29.94 Favored Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.759 177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.63 25.82 0.33 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 119.928 1.864 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.576 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.58 102.27 14.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.372 -0.83 . . . . 0.0 109.61 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 62' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 17.7 m-85 -106.97 7.52 29.96 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.855 -1.153 . . . . 0.0 109.902 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.78 24.86 0.27 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.82 152.44 40.31 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.742 -0.598 . . . . 0.0 109.497 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -110.88 57.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.91 159.93 43.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.487 -0.758 . . . . 0.0 110.003 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.56 134.41 55.24 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.414 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -95.23 121.81 37.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.298 -0.876 . . . . 0.0 110.837 -177.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.47 123.11 49.29 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' C' ' 72' ' ' TRP . 20.6 t -125.8 83.28 62.82 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.338 -0.851 . . . . 0.0 109.768 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.86 65.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.996 2.464 . . . . 0.0 112.068 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.485 ' N ' ' O ' ' C' ' 70' ' ' VAL . 47.3 t90 -68.9 130.18 91.78 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 120.991 -1.068 . . . . 0.0 108.786 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.462 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 59.7 Cg_exo -36.81 147.9 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.742 1.628 . . . . 0.0 111.996 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 41.1 t-20 -130.24 -60.26 1.01 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.34 -0.85 . . . . 0.0 109.39 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.65 126.36 36.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.098 -1.001 . . . . 0.0 108.963 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 13.4 p -80.65 108.73 14.53 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.13 136.15 35.2 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.494 0.664 . . . . 0.0 109.764 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.651 HG23 ' O ' ' C' ' 78' ' ' THR . 13.5 t -91.99 112.52 55.25 Favored Pre-proline 0 N--CA 1.491 1.593 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -93.16 -48.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.751 1.634 . . . . 0.0 114.896 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 -44.16 2.37 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.16 -0.962 . . . . 0.0 113.262 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.673 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.4 p90 -59.98 -51.69 68.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.379 -1.45 . . . . 0.0 111.997 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.673 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 8.0 t-20 -79.77 -41.39 26.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.132 -1.605 . . . . 0.0 110.078 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.07 -49.63 76.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.111 -0.993 . . . . 0.0 109.863 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.01 -48.8 80.22 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 109.097 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.502 HG23 ' O ' ' C' ' 81' ' ' TRP . 69.9 p -64.7 -40.01 94.64 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.335 -0.853 . . . . 0.0 109.798 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -61.07 -40.09 92.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.242 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.06 -41.61 92.74 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.253 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.52 -40.07 95.58 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 108.912 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -59.97 -49.85 76.05 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.39 -44.3 95.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.327 -0.858 . . . . 0.0 109.26 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.252 -0.905 . . . . 0.0 110.751 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.13 -42.28 94.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.656 -1.278 . . . . 0.0 109.426 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.7 -41.27 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.086 -1.009 . . . . 0.0 108.822 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.77 -44.82 96.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.0 110.676 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.93 -41.62 97.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.828 -1.17 . . . . 0.0 109.719 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.96 -41.14 91.59 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.129 -0.982 . . . . 0.0 108.724 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.94 -48.6 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.44 -0.788 . . . . 0.0 109.136 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -44.58 94.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.502 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -60.34 -43.99 95.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 0.0 109.53 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.47 -45.28 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 109.265 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 75.1 p -60.97 -41.18 95.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.913 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.41 99.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.953 -1.092 . . . . 0.0 109.372 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.17 -41.31 86.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.304 -0.872 . . . . 0.0 109.326 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.507 HD23 HD11 ' C' ' 18' ' ' LEU . 84.9 mt -61.75 -46.59 88.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.135 -0.978 . . . . 0.0 108.698 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -47.77 84.49 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.26 -41.11 96.37 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.37 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.1 95.82 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.108 -0.995 . . . . 0.0 108.948 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.431 -0.793 . . . . 0.0 109.555 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.105 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -65.28 -40.08 93.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.06 -49.61 76.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.45 -0.781 . . . . 0.0 109.516 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.17 -40.67 98.22 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.271 -0.893 . . . . 0.0 109.267 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.88 -40.14 96.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.29 -0.881 . . . . 0.0 109.752 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.13 -40.12 82.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -40.03 77.77 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.98 -47.76 84.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.511 -0.743 . . . . 0.0 109.492 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -39.99 90.45 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -0.956 . . . . 0.0 109.486 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.02 -41.56 92.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.254 -0.904 . . . . 0.0 109.688 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.9 mt-30 -60.5 -40.74 92.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.142 -0.974 . . . . 0.0 109.621 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.0 -39.72 86.74 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.95 -49.18 78.68 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -116.04 57.03 0.76 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -71.59 144.89 49.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -89.38 59.95 5.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.106 -0.996 . . . . 0.0 109.335 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -65.47 -40.05 92.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.138 -0.976 . . . . 0.0 109.492 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 10.2 t -59.98 -43.0 95.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.082 -1.011 . . . . 0.0 109.38 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 63.8 tp -60.04 -42.67 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.119 -0.988 . . . . 0.0 108.854 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.04 -38.96 84.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.45 -0.781 . . . . 0.0 109.657 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.64 57.09 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.73 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -1.097 . . . . 0.0 109.506 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.99 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 108.949 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.58 -39.97 89.97 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.504 -0.747 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -59.97 -41.42 91.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.0 109.596 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.63 -42.47 98.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.996 -1.065 . . . . 0.0 109.348 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.06 -45.32 93.25 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.204 -0.935 . . . . 0.0 109.095 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.15 -43.77 95.49 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.333 -0.854 . . . . 0.0 109.372 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.76 -40.67 97.99 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.242 -0.912 . . . . 0.0 109.589 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 HD23 ' A' ' 104' ' ' LEU . 57.3 tp -59.97 -42.51 94.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.267 -0.896 . . . . 0.0 108.711 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.01 -48.28 82.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.36 -0.838 . . . . 0.0 109.846 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 HG11 ' B' ' 21' ' ' VAL . 70.9 t -60.29 -40.59 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.257 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG11 HG11 ' C' ' 20' ' ' VAL . 56.3 t -59.96 -48.47 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -64.68 -40.47 95.45 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' NH2' HD11 ' B' ' 103' ' ' LEU . 38.5 ttm180 -60.67 -39.98 90.39 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -42.04 93.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.014 . . . . 0.0 109.796 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.43 -41.79 94.74 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.761 -1.212 . . . . 0.0 109.081 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD23 HD13 ' B' ' 28' ' ' LEU . 34.3 tp -60.37 -40.74 91.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.685 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD13 HD23 ' C' ' 27' ' ' LEU . 97.1 mt -60.0 -40.07 87.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.454 -0.779 . . . . 0.0 109.475 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.02 -40.06 87.98 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.06 -1.025 . . . . 0.0 108.751 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.561 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.8 mt -62.25 -41.39 98.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 109.749 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.6 p -63.24 -40.08 96.43 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.037 -1.039 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.21 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 109.19 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.04 -42.87 95.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.533 -0.729 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.11 71.22 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 119.611 -1.28 . . . . 0.0 110.276 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -59.93 -50.01 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -1.216 . . . . 0.0 110.009 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -60.59 -40.0 90.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.855 . . . . 0.0 109.637 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.97 -40.45 89.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.095 -1.003 . . . . 0.0 109.47 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.25 -40.01 88.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.937 -1.102 . . . . 0.0 109.234 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.08 -40.22 88.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 109.75 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.5 p -60.06 -42.81 95.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.889 -1.132 . . . . 0.0 108.667 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.671 ' NH1' HG21 ' B' ' 78' ' ' THR . 28.7 mtt-85 -63.3 -40.1 96.43 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -40.27 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.532 -0.73 . . . . 0.0 109.835 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 51.4 p -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.011 -1.055 . . . . 0.0 109.106 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.08 79.36 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.402 -1.436 . . . . 0.0 108.855 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.69 -42.16 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 43' ' ' THR . 21.8 pt-20 -62.37 -39.89 94.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.286 -1.509 . . . . 0.0 108.452 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.88 -42.18 93.18 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.153 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.2 m-85 -64.3 -39.39 93.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.683 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HE22 ' C' ' 52' ' ' GLN . 46.1 mt -59.8 -40.06 87.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.071 -1.018 . . . . 0.0 108.495 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.97 -1.082 . . . . 0.0 108.817 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.01 -42.2 93.8 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.208 -0.933 . . . . 0.0 109.565 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.445 HE22 ' CD2' ' B' ' 49' ' ' LEU . 31.8 mt-30 -60.64 -40.03 90.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.924 -1.11 . . . . 0.0 109.631 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -57.76 -32.95 67.97 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.106 -0.996 . . . . 0.0 108.572 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.63 -37.62 76.31 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -68.53 114.63 7.1 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -133.98 -68.53 0.56 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.274 -0.891 . . . . 0.0 109.407 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.47 87.61 1.45 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.48 ' C ' ' H ' ' A' ' 60' ' ' ALA . 72.9 m95 -104.73 146.82 28.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.559 -0.713 . . . . 0.0 110.386 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 56.56 5.28 1.14 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.525 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -75.86 23.82 0.13 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.331 -1.1 . . . . 0.0 108.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.9 107.28 2.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.68 12.81 35.8 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.286 -0.883 . . . . 0.0 109.494 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -117.34 21.58 13.01 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -150.84 151.76 32.74 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.44 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.121 -0.987 . . . . 0.0 108.752 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.52 157.82 42.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.436 -0.79 . . . . 0.0 109.319 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -125.29 133.0 52.8 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.96 120.73 40.26 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 121.892 0.853 . . . . 0.0 111.229 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 69' ' ' THR . 14.7 t -114.2 123.88 50.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.1 t -132.27 78.98 67.19 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.204 -0.935 . . . . 0.0 109.963 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.09 67.94 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 123.071 2.514 . . . . 0.0 112.264 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.518 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 28.6 t90 -67.1 132.42 93.64 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 120.89 -1.131 . . . . 0.0 108.333 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 92.5 Cg_exo -37.64 147.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.54 1.493 . . . . 0.0 112.047 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.3 OUTLIER -130.54 -60.03 1.0 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 127.05 35.35 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.7 t -78.29 112.6 15.45 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.221 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.59 140.24 44.24 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.816 0.817 . . . . 0.0 110.179 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 78' ' ' THR . 6.8 t -135.27 87.39 28.19 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -100.25 -43.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 123.258 2.638 . . . . 0.0 114.353 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.96 -44.87 29.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 112.99 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.543 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 6.1 p90 -90.05 -28.78 18.81 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.465 -1.397 . . . . 0.0 112.821 -177.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.543 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 31.1 t30 -77.48 -49.9 13.8 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.124 -1.61 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -60.25 -45.21 94.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.088 -1.007 . . . . 0.0 110.211 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.93 -45.37 92.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.966 -1.084 . . . . 0.0 108.637 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' TRP . 45.3 p -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -67.57 -40.0 84.88 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.243 -0.91 . . . . 0.0 109.416 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.01 -40.82 90.58 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.893 -1.129 . . . . 0.0 108.25 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.48 -42.83 99.39 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 108.237 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.586 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.2 t90 -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.443 -0.786 . . . . 0.0 109.246 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.35 -40.47 95.93 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.862 . . . . 0.0 109.546 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.88 -42.29 99.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.03 -45.06 94.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.652 -1.28 . . . . 0.0 109.271 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.69 -40.99 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.63 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.09 -46.83 88.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.693 . . . . 0.0 110.138 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -68.83 -40.03 79.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.83 -1.169 . . . . 0.0 109.084 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.91 -41.49 91.38 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.462 -0.895 . . . . 0.0 108.923 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.19 -49.49 77.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.194 -0.941 . . . . 0.0 108.714 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 101' ' ' THR . 89.0 tt0 -61.38 -40.03 92.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.581 -0.699 . . . . 0.0 109.197 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.439 ' O ' ' NH1' ' C' ' 23' ' ' ARG . 22.7 m120 -64.25 -40.34 95.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.803 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.4 -41.41 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.077 -1.015 . . . . 0.0 108.923 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 67.0 p -60.63 -40.0 90.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.78 80.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.268 -0.895 . . . . 0.0 109.233 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.475 HD11 ' NH2' ' C' ' 23' ' ' ARG . 82.0 mt -63.21 -40.09 96.5 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.949 -1.094 . . . . 0.0 108.752 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 18' ' ' LEU . 90.6 mt -65.54 -40.51 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 109.535 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.9 -50.08 75.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.088 -1.007 . . . . 0.0 108.9 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.57 94.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.321 -0.862 . . . . 0.0 109.376 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.57 98.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.832 . . . . 0.0 109.517 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.03 -49.54 77.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.205 -0.935 . . . . 0.0 109.613 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -47.53 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.246 -0.909 . . . . 0.0 109.439 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -68.74 -40.31 79.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.34 -50.02 75.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.091 -1.005 . . . . 0.0 109.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -64.14 -41.95 96.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.347 -0.846 . . . . 0.0 109.133 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -67.76 -39.99 84.13 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.644 -0.822 . . . . 0.0 108.949 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.99 -44.37 96.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.138 -0.976 . . . . 0.0 109.246 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.68 -40.02 80.29 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.251 -0.906 . . . . 0.0 108.93 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -60.02 -44.85 94.33 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.354 -0.841 . . . . 0.0 110.062 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.57 -40.46 94.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.975 -1.078 . . . . 0.0 109.5 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.18 -42.26 98.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.889 . . . . 0.0 109.559 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.5 mt-30 -61.65 -39.89 92.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.188 -0.945 . . . . 0.0 109.679 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -60.09 -38.55 83.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.733 . . . . 0.0 109.445 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.65 -46.73 88.13 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.99 62.25 1.51 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.435 -0.791 . . . . 0.0 109.608 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 117.986 -1.006 . . . . 0.0 109.335 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.221 0.534 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -71.57 145.17 49.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 109.533 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.9 60.3 4.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.166 -0.959 . . . . 0.0 109.328 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -65.5 -39.99 92.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.218 -0.926 . . . . 0.0 109.461 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.496 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.7 t -60.02 -42.93 95.39 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.168 -0.957 . . . . 0.0 109.488 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.496 ' N ' HG23 ' B' ' 5' ' ' THR . 64.4 tp -60.13 -42.47 94.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 108.87 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.08 -39.23 85.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 109.544 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.06 87.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.041 -1.037 . . . . 0.0 108.658 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.37 -45.83 59.0 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -48.7 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -1.078 . . . . 0.0 109.56 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.03 -41.46 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.131 -0.98 . . . . 0.0 108.898 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.64 -39.97 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.192 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.94 -41.38 91.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.51 -0.744 . . . . 0.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.77 -42.47 99.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.044 -1.035 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.05 -45.25 93.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.036 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.51 -43.08 97.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.403 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.33 -40.37 97.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.338 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.441 HD11 HD23 ' B' ' 104' ' ' LEU . 56.9 tp -60.11 -42.62 95.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.233 -0.917 . . . . 0.0 108.724 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -60.04 -48.42 81.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 109.807 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.413 HG11 HG11 ' C' ' 21' ' ' VAL . 66.1 t -60.05 -40.47 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.986 -1.072 . . . . 0.0 109.392 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.423 HG11 HG11 ' A' ' 20' ' ' VAL . 56.2 t -60.08 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.69 -40.14 94.88 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.764 0.793 . . . . 0.0 108.976 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.471 ' NH2' HD11 ' C' ' 103' ' ' LEU . 38.6 ttm180 -60.82 -40.0 91.14 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.14 -39.97 88.19 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.333 -0.854 . . . . 0.0 108.834 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -59.96 -41.79 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.019 -1.05 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.85 -41.55 96.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.797 -1.189 . . . . 0.0 109.055 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.499 HD23 HD13 ' C' ' 28' ' ' LEU . 34.0 tp -60.26 -40.81 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.479 -0.763 . . . . 0.0 109.709 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.513 HD13 HD23 ' A' ' 27' ' ' LEU . 97.1 mt -59.97 -40.04 87.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.463 -0.773 . . . . 0.0 109.567 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.92 -40.16 87.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.073 -1.017 . . . . 0.0 108.712 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.56 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -62.38 -41.12 98.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.38 -40.24 96.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.44 -41.02 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.388 -0.82 . . . . 0.0 109.214 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -60.12 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 110.263 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.01 72.33 Favored Glycine 0 N--CA 1.489 2.187 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.3 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.01 -50.09 75.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 0.0 109.858 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.51 -39.96 89.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 0.0 109.582 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 0.0 109.552 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.69 -39.92 90.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.008 -1.057 . . . . 0.0 109.069 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.03 -40.28 88.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 109.812 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 44.6 p -60.04 -42.72 95.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.9 -1.125 . . . . 0.0 108.842 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.655 ' NH1' HG21 ' C' ' 78' ' ' THR . 29.4 mtt-85 -63.4 -40.08 96.24 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -40.25 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.634 -0.666 . . . . 0.0 109.803 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 52.0 p -60.04 -40.02 87.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.897 -1.127 . . . . 0.0 109.079 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.16 -39.92 78.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.355 -1.465 . . . . 0.0 108.796 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.69 -42.38 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.395 -0.816 . . . . 0.0 111.727 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 43' ' ' THR . 21.7 pt-20 -62.17 -39.88 94.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.322 -1.486 . . . . 0.0 108.544 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.98 -41.97 93.15 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.12 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.5 m-85 -64.19 -39.44 94.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.095 -1.003 . . . . 0.0 109.723 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.445 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.9 mt -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.074 -1.016 . . . . 0.0 108.458 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -60.25 -40.08 89.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.008 -1.057 . . . . 0.0 108.858 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.95 -42.05 93.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.212 -0.93 . . . . 0.0 109.599 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.473 HE22 ' CD2' ' C' ' 49' ' ' LEU . 31.6 mt-30 -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.923 -1.11 . . . . 0.0 109.493 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -57.47 -33.07 67.61 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.138 -0.976 . . . . 0.0 108.683 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.67 -37.63 76.43 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.56 114.55 7.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -133.93 -69.01 0.54 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.285 -0.884 . . . . 0.0 109.4 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 87.65 1.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.477 ' C ' ' H ' ' B' ' 60' ' ' ALA . 73.0 m95 -104.92 146.21 29.34 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.533 -0.73 . . . . 0.0 110.286 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 56.97 4.88 1.13 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.531 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.24 24.08 0.1 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.437 -1.037 . . . . 0.0 108.902 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.09 107.3 2.26 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 110.367 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.73 12.69 35.93 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.159 -0.963 . . . . 0.0 109.627 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -117.22 21.53 13.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -150.77 151.47 32.4 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.27 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 108.775 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.79 43.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.455 -0.778 . . . . 0.0 109.345 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -125.52 132.98 52.51 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 68' ' ' THR . 4.3 t -99.94 120.87 40.47 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.299 -0.875 . . . . 0.0 111.267 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 69' ' ' THR . 14.5 t -114.19 123.83 50.55 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 43.7 t -132.12 78.99 67.77 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.27 -0.894 . . . . 0.0 110.031 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.15 68.03 0.22 Allowed 'Trans proline' 0 N--CA 1.499 1.794 0 C-N-CA 123.115 2.544 . . . . 0.0 112.236 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.503 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 27.9 t90 -67.08 132.59 93.67 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 120.88 -1.137 . . . . 0.0 108.404 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -37.74 147.18 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 121.536 1.491 . . . . 0.0 111.904 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.532 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -130.42 -60.07 1.01 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.93 127.08 35.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -78.38 112.72 15.69 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.334 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.58 140.21 44.23 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.916 0.865 . . . . 0.0 110.198 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.721 HG23 ' O ' ' B' ' 78' ' ' THR . 6.6 t -135.28 87.49 27.92 Favored Pre-proline 0 N--CA 1.494 1.73 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -100.14 -44.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 123.225 2.617 . . . . 0.0 114.397 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.9 -45.15 29.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.214 -0.929 . . . . 0.0 113.05 -176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.557 ' CE2' ' OG1' ' B' ' 78' ' ' THR . 5.8 p90 -89.34 -29.81 18.87 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 120.501 -1.375 . . . . 0.0 112.865 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.524 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 32.3 t30 -77.02 -49.93 14.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.152 -1.593 . . . . 0.0 110.539 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.08 -45.4 93.04 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.861 -1.149 . . . . 0.0 110.252 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -45.1 93.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.039 -1.038 . . . . 0.0 108.568 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 81' ' ' TRP . 45.7 p -70.02 -39.98 75.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.348 -0.845 . . . . 0.0 108.748 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -67.56 -39.95 84.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 0.0 109.389 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.03 -40.69 90.19 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.802 -1.186 . . . . 0.0 108.281 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.63 -42.86 99.48 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.561 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.7 t90 -60.0 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.174 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.31 -40.46 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.244 -0.91 . . . . 0.0 109.449 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 110.231 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.09 -45.26 93.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.623 -1.298 . . . . 0.0 109.255 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.49 -40.8 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.141 -0.974 . . . . 0.0 108.641 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -59.97 -47.38 86.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.464 -0.773 . . . . 0.0 110.171 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.59 -40.01 80.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.837 -1.165 . . . . 0.0 109.192 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.79 -41.68 91.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.26 -0.9 . . . . 0.0 108.897 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.06 -49.51 77.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.156 -0.965 . . . . 0.0 108.857 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.36 -40.01 92.73 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.517 -0.739 . . . . 0.0 109.057 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.43 -40.42 95.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.298 -0.876 . . . . 0.0 109.879 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.27 -41.42 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 0.0 108.978 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 69.2 p -60.45 -39.99 89.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 109.431 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.0 79.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.32 -0.863 . . . . 0.0 109.109 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.47 HD11 ' NH2' ' A' ' 23' ' ' ARG . 82.2 mt -63.06 -40.05 96.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.905 -1.122 . . . . 0.0 108.801 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.441 HD23 HD11 ' B' ' 18' ' ' LEU . 90.6 mt -65.64 -40.54 92.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.091 -1.006 . . . . 0.0 109.478 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.01 -49.81 76.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 108.819 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -41.1 94.99 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.307 -0.871 . . . . 0.0 109.486 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -60.08 -49.58 77.1 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.116 -0.99 . . . . 0.0 109.518 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -47.49 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.191 -0.943 . . . . 0.0 109.427 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -68.9 -39.99 79.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 110.12 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -60.64 -50.05 75.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.709 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -64.03 -41.58 97.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.288 -0.883 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -68.24 -39.94 82.13 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.724 -0.79 . . . . 0.0 108.975 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.95 -44.32 97.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.92 -40.0 79.3 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.276 -0.89 . . . . 0.0 108.714 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.0 -44.91 94.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.44 -0.788 . . . . 0.0 110.143 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.5 -40.58 95.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.932 -1.105 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.94 -42.69 98.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.335 -0.853 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -61.36 -40.0 92.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -60.02 -38.78 83.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.454 -0.779 . . . . 0.0 109.463 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.44 -46.47 88.66 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -129.03 62.12 1.51 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.401 -0.812 . . . . 0.0 109.58 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.857 0 O-C-N 121.066 -1.021 . . . . 0.0 109.309 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.215 0.531 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.58 144.97 49.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 0.0 109.579 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 60.2 4.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.119 -0.988 . . . . 0.0 109.331 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -65.44 -40.03 92.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 109.468 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.501 HG23 ' N ' ' C' ' 6' ' ' LEU . 10.2 t -59.96 -42.83 94.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.094 -1.003 . . . . 0.0 109.452 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.501 ' N ' HG23 ' C' ' 5' ' ' THR . 64.6 tp -60.17 -42.53 95.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 108.835 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.1 -39.25 85.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.468 -0.77 . . . . 0.0 109.579 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.63 58.78 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -48.9 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.424 -1.045 . . . . 0.0 109.49 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.93 -41.28 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 108.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.74 -39.97 90.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.785 . . . . 0.0 109.092 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.98 -41.16 91.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.473 -0.767 . . . . 0.0 109.692 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.81 -42.39 98.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.028 -1.045 . . . . 0.0 109.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.0 -45.26 93.32 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.342 -0.849 . . . . 0.0 108.999 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.48 -43.53 96.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.317 -0.865 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.88 -40.53 97.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.0 109.501 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.459 HD11 HD23 ' C' ' 104' ' ' LEU . 57.2 tp -60.02 -42.63 94.76 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.695 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.88 -48.11 83.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.856 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.419 HG11 HG11 ' A' ' 21' ' ' VAL . 65.6 t -60.48 -40.49 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 0.0 109.31 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' VAL . . . . . 0.413 HG11 HG11 ' B' ' 20' ' ' VAL . 57.5 t -60.01 -48.34 88.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.92 -40.31 94.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.475 ' NH2' HD11 ' A' ' 103' ' ' LEU . 38.6 ttm180 -60.91 -39.82 90.77 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.13 -39.95 88.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 108.892 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.05 -41.72 92.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.8 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.88 -41.28 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.743 -1.223 . . . . 0.0 109.096 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.517 HD23 HD13 ' A' ' 28' ' ' LEU . 33.9 tp -60.77 -40.71 93.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.504 -0.748 . . . . 0.0 109.668 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.499 HD13 HD23 ' B' ' 27' ' ' LEU . 96.9 mt -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.38 -0.825 . . . . 0.0 109.5 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.05 -40.13 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.03 -1.044 . . . . 0.0 108.725 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.586 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.0 mt -62.16 -41.26 98.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.944 . . . . 0.0 109.724 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.9 p -63.26 -40.06 96.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.035 -1.041 . . . . 0.0 109.641 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.334 -0.854 . . . . 0.0 109.263 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.03 -43.02 95.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.422 -0.799 . . . . 0.0 110.221 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -50.24 69.84 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.646 -1.264 . . . . 0.0 110.237 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -59.98 -49.97 75.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -1.21 . . . . 0.0 109.909 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.62 -40.05 90.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.931 . . . . 0.0 109.642 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.03 -40.12 88.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.54 -40.07 90.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.256 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.99 -40.27 88.56 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.304 -0.872 . . . . 0.0 109.81 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.5 p -60.06 -42.63 94.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.887 -1.133 . . . . 0.0 108.764 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.689 ' NH1' HG21 ' A' ' 78' ' ' THR . 29.5 mtt-85 -63.48 -39.97 95.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.16 -40.15 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.536 -0.728 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 52.9 p -60.01 -39.98 87.65 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.002 -1.061 . . . . 0.0 109.164 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.04 78.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.291 -1.505 . . . . 0.0 108.834 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.37 -42.53 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.511 -0.743 . . . . 0.0 111.739 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.02 -39.85 93.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.325 -1.484 . . . . 0.0 108.535 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -59.99 -42.02 93.32 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.146 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 36.6 m-85 -64.21 -39.58 94.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.235 -0.915 . . . . 0.0 109.692 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.473 ' CD2' HE22 ' B' ' 52' ' ' GLN . 44.9 mt -59.63 -39.91 85.88 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.015 -1.053 . . . . 0.0 108.567 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.19 -40.01 88.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.075 -1.015 . . . . 0.0 108.783 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.03 -41.94 93.3 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.096 -1.002 . . . . 0.0 109.641 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.456 HE22 ' CD2' ' A' ' 49' ' ' LEU . 31.4 mt-30 -61.03 -39.99 91.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.989 -1.069 . . . . 0.0 109.552 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -57.51 -32.95 67.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.112 -0.992 . . . . 0.0 108.599 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.77 -37.52 76.45 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.75 114.45 7.11 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -133.72 -68.71 0.56 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.257 -0.902 . . . . 0.0 109.424 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.29 87.73 1.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.8 m95 -104.98 146.62 28.79 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.543 -0.723 . . . . 0.0 110.321 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 56.65 5.18 1.13 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -75.62 23.79 0.12 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.405 -1.056 . . . . 0.0 108.845 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.76 107.38 2.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.966 . . . . 0.0 110.398 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -102.67 12.81 35.82 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.263 -0.898 . . . . 0.0 109.603 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -117.3 21.45 13.11 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -150.75 151.6 32.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.8 t -108.24 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.169 -0.957 . . . . 0.0 108.672 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.36 157.96 43.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -125.78 132.8 52.22 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.86 120.63 40.08 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.84 0.829 . . . . 0.0 111.253 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.536 HG23 ' O ' ' C' ' 69' ' ' THR . 15.0 t -114.02 124.02 51.11 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 43.9 t -132.36 78.76 67.32 Favored Pre-proline 0 N--CA 1.502 2.154 0 O-C-N 121.154 -0.967 . . . . 0.0 109.931 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.94 67.87 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.055 2.504 . . . . 0.0 112.25 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.522 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 27.8 t90 -67.01 132.54 93.79 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 94.6 Cg_exo -37.52 147.28 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.572 1.514 . . . . 0.0 111.993 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.3 OUTLIER -130.55 -60.01 1.0 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.02 127.07 35.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -78.35 112.87 15.81 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.256 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.81 140.17 43.77 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.817 0.818 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.713 HG23 ' O ' ' C' ' 78' ' ' THR . 6.7 t -135.2 87.49 28.35 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -100.15 -44.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.306 2.671 . . . . 0.0 114.273 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.81 -45.21 29.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 112.954 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.544 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 6.2 p90 -89.57 -29.0 19.19 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 120.543 -1.348 . . . . 0.0 112.954 -177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.531 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 31.5 t30 -77.4 -50.11 13.44 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.117 -1.615 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.19 -45.13 94.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -45.26 93.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.978 -1.076 . . . . 0.0 108.643 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.413 HG23 ' O ' ' C' ' 81' ' ' TRP . 46.3 p -70.04 -39.98 75.41 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -67.56 -39.95 84.94 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.362 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.07 -40.69 90.37 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.945 -1.097 . . . . 0.0 108.26 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.69 -42.71 99.3 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.073 -1.017 . . . . 0.0 108.283 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.98 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.5 -0.75 . . . . 0.0 109.254 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.54 -40.69 96.06 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.344 -0.847 . . . . 0.0 109.531 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.71 -42.16 99.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.0 110.159 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.95 -45.47 92.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.634 -1.292 . . . . 0.0 109.215 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.34 -40.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.142 -0.973 . . . . 0.0 108.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.01 -46.9 87.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.455 -0.778 . . . . 0.0 110.175 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.84 -39.98 79.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 109.134 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -41.69 89.96 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.867 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.07 -1.019 . . . . 0.0 108.756 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.32 -40.14 93.1 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.561 -0.712 . . . . 0.0 109.103 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.39 -40.09 95.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.891 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.49 -41.47 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.149 -0.97 . . . . 0.0 108.866 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 67.4 p -60.53 -39.93 89.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.26 -0.9 . . . . 0.0 109.463 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.74 80.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.841 . . . . 0.0 109.245 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.471 HD11 ' NH2' ' B' ' 23' ' ' ARG . 83.1 mt -63.24 -39.99 96.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.924 -1.11 . . . . 0.0 108.82 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.459 HD23 HD11 ' C' ' 18' ' ' LEU . 90.2 mt -65.74 -40.43 92.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 109.459 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.07 -49.93 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.113 -0.992 . . . . 0.0 108.784 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.57 -41.56 94.85 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.443 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.48 98.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 109.557 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -59.97 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.147 -0.971 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.28 -47.66 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.318 -0.864 . . . . 0.0 109.287 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.71 -40.1 80.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 110.173 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -60.45 -50.01 75.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.153 -0.967 . . . . 0.0 109.808 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -64.29 -41.94 96.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.402 -0.812 . . . . 0.0 109.145 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -67.82 -39.97 83.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.344 -0.848 . . . . 0.0 108.977 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.07 -43.71 98.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.24 -39.98 78.18 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.282 -0.886 . . . . 0.0 108.739 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.04 -44.77 94.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.451 -0.781 . . . . 0.0 110.068 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.54 -40.47 94.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.039 -1.038 . . . . 0.0 109.511 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.23 -42.38 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.7 mt-30 -61.68 -40.02 93.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 109.525 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -60.01 -38.12 81.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.97 -46.44 89.44 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -129.3 62.24 1.52 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.387 -0.82 . . . . 0.0 109.538 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.195 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -74.19 144.24 44.85 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.73 59.19 4.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.035 -1.041 . . . . 0.0 108.801 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.03 -40.04 94.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.555 -0.715 . . . . 0.0 109.128 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.8 t -60.31 -43.87 95.95 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.394 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' A' ' 5' ' ' THR . 63.7 tp -62.55 -42.21 99.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.153 -0.967 . . . . 0.0 108.831 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.2 -40.05 92.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.558 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.38 88.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 0.0 108.543 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.64 -45.46 58.91 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.02 -47.63 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.333 -1.098 . . . . 0.0 109.418 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -61.37 -40.07 92.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 109.261 178.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -60.04 -44.22 94.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.358 -0.838 . . . . 0.0 109.949 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.43 -40.54 91.44 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.08 -43.12 95.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' OE1' ' NE2' ' A' ' 12' ' ' GLN . 28.7 mt-30 -61.74 -40.44 95.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.147 -0.971 . . . . 0.0 109.25 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.41 -40.39 93.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.0 109.576 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.64 -41.11 98.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 0.0 108.958 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -59.94 -49.31 78.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 109.935 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.98 -40.93 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.97 . . . . 0.0 109.836 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -43.29 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.294 -0.879 . . . . 0.0 108.932 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.14 -40.03 95.29 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.523 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 29.8 mmt180 -60.78 -40.17 91.57 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.45 -0.781 . . . . 0.0 109.403 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.03 -43.19 95.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.293 -0.88 . . . . 0.0 109.734 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.76 -39.97 79.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 109.338 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 tp -63.11 -40.26 97.1 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.402 -0.811 . . . . 0.0 109.172 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.408 -0.808 . . . . 0.0 109.563 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.21 -40.0 88.56 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.04 -1.038 . . . . 0.0 109.64 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 83.6 mt -62.12 -41.69 98.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 0.0 110.018 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.0 -39.94 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.738 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.32 -40.3 85.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.269 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -59.94 -43.1 95.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.292 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.0 93.09 Favored Glycine 0 N--CA 1.489 2.173 0 C-N-CA 119.459 -1.353 . . . . 0.0 109.795 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.01 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -1.135 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -59.89 -40.09 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.07 -1.019 . . . . 0.0 109.998 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.24 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.92 -40.09 87.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 0.0 109.025 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -59.96 -40.03 87.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.259 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.2 p -60.03 -41.2 91.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.897 -1.127 . . . . 0.0 108.4 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.586 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.3 mtt-85 -63.24 -40.07 96.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.122 -0.986 . . . . 0.0 108.573 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.95 -41.16 85.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.164 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.832 -1.168 . . . . 0.0 109.187 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.98 77.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.31 -44.02 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.526 -0.734 . . . . 0.0 111.013 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.21 -39.84 91.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.569 -1.332 . . . . 0.0 108.159 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -60.04 -43.15 95.53 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.768 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.4 m-85 -65.62 -40.03 92.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.963 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.15 -40.12 88.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 108.504 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.0 -39.71 86.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.391 -0.818 . . . . 0.0 109.173 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.587 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.883 -1.136 . . . . 0.0 108.901 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.34 78.9 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.929 -1.107 . . . . 0.0 108.431 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 0.0 108.696 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.95 117.74 11.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.102 -0.999 . . . . 0.0 108.315 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 35.3 m120 -132.6 -62.94 0.8 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.428 -0.795 . . . . 0.0 110.647 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.18 116.92 4.08 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.737 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 92.1 m95 -103.34 131.45 50.4 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 65.57 20.78 68.3 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.93 -1.128 . . . . 0.0 110.619 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.1 22.75 0.11 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.883 -1.363 . . . . 0.0 109.043 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.91 107.44 1.28 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.171 -0.956 . . . . 0.0 109.473 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -108.8 11.96 25.91 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.181 -0.949 . . . . 0.0 110.208 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.2 mtp180 -141.9 25.27 1.96 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.078 -1.014 . . . . 0.0 109.004 177.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.28 152.71 39.61 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.39 59.11 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.219 -0.926 . . . . 0.0 109.228 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 156.22 41.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -131.25 133.26 45.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -91.86 114.55 27.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.918 -1.114 . . . . 0.0 109.252 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 69' ' ' THR . 6.6 t -112.7 119.89 39.64 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.565 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 85.6 t -122.71 86.13 49.56 Favored Pre-proline 0 N--CA 1.497 1.893 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -87.0 63.55 4.33 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.885 2.39 . . . . 0.0 111.868 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.431 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 17.2 t90 -70.03 136.78 87.15 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.402 -0.811 . . . . 0.0 109.148 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 86.9 Cg_exo -42.32 146.76 0.64 Allowed 'Trans proline' 0 N--CA 1.488 1.186 0 C-N-CA 120.974 1.116 . . . . 0.0 110.174 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.51 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 55.6 t30 -132.22 4.46 4.06 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.273 -0.892 . . . . 0.0 109.43 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.26 123.51 7.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -81.73 106.97 14.08 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.8 mt -79.11 136.66 37.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.478 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 78' ' ' THR . 8.8 t -90.43 111.58 48.12 Favored Pre-proline 0 N--CA 1.496 1.846 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -92.67 -49.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.089 0 C-N-CA 121.871 1.714 . . . . 0.0 114.838 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.19 -42.76 2.46 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.23 -50.07 75.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.169 -1.582 . . . . 0.0 111.811 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 57.0 t30 -72.99 -41.68 64.07 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.236 -1.54 . . . . 0.0 110.519 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.04 -50.13 74.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.078 -1.014 . . . . 0.0 110.518 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.91 -44.46 96.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.86 -1.15 . . . . 0.0 109.504 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 p -69.84 -40.05 76.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 110.142 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 30.1 t-105 -66.17 -40.04 90.19 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.898 -1.126 . . . . 0.0 109.427 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -59.98 -42.97 95.34 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 120.595 -1.316 . . . . 0.0 108.114 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.98 -41.4 91.95 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.466 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 58.4 t90 -60.06 -49.29 78.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.495 -0.753 . . . . 0.0 108.981 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.62 -40.03 95.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.168 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.13 -46.66 88.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 110.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.95 -42.43 94.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.943 -1.098 . . . . 0.0 110.059 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.24 -41.97 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.881 -1.137 . . . . 0.0 108.949 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.92 -47.1 87.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.266 -0.896 . . . . 0.0 110.318 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.23 -40.01 93.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.854 -1.153 . . . . 0.0 109.737 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.84 -41.36 87.55 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 109.016 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.53 -49.21 78.46 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 108.89 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.63 -44.1 96.74 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.284 -0.885 . . . . 0.0 109.279 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.497 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.3 t-20 -60.02 -48.39 81.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 109.417 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.93 -44.75 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.329 -0.857 . . . . 0.0 109.62 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -42.82 95.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.024 -1.047 . . . . 0.0 109.198 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.1 -47.58 85.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 0.0 108.961 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.0 -46.82 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.429 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.19 -41.2 96.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.287 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.03 -47.81 84.29 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.219 -0.926 . . . . 0.0 109.14 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.29 -40.24 93.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.21 95.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.333 -0.854 . . . . 0.0 109.53 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.97 -48.55 81.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.043 -1.035 . . . . 0.0 109.636 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.43 -46.1 93.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.228 -0.92 . . . . 0.0 109.354 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.85 -40.87 95.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.04 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 108.804 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.99 -42.53 94.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.626 -0.671 . . . . 0.0 109.514 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -61.0 -39.96 91.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.608 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -64.51 -40.24 95.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.917 -1.114 . . . . 0.0 109.257 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 115' ' ' MET . 1.4 tmt? -69.56 -39.96 77.08 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.499 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 65.1 t80 -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.437 -0.789 . . . . 0.0 109.318 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.932 . . . . 0.0 108.615 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.483 -0.76 . . . . 0.0 109.338 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.41 95.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.954 -1.092 . . . . 0.0 109.879 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.499 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.6 mmtm -60.07 -39.49 86.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.107 -0.995 . . . . 0.0 109.17 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.0 mt -59.38 -46.57 88.3 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -125.0 60.11 1.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.636 -0.665 . . . . 0.0 109.318 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.166 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -73.94 144.29 45.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.81 59.2 4.96 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.149 -0.969 . . . . 0.0 108.67 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -65.23 -39.97 93.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.502 -0.749 . . . . 0.0 109.131 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.532 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.0 t -60.2 -43.95 95.53 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.303 -0.873 . . . . 0.0 109.416 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.532 ' N ' HG23 ' B' ' 5' ' ' THR . 63.6 tp -62.67 -41.97 99.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.141 -0.975 . . . . 0.0 108.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.43 -40.04 93.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.264 -0.897 . . . . 0.0 109.455 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.71 90.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.158 -0.964 . . . . 0.0 108.539 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -45.63 62.02 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.95 -47.58 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.271 -1.135 . . . . 0.0 109.312 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.1 -40.39 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLN . . . . . 0.464 ' C ' ' NE2' ' B' ' 12' ' ' GLN . 0.8 OUTLIER -61.64 -39.98 93.27 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -60.05 -44.59 94.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.13 -40.52 90.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -0.921 . . . . 0.0 109.893 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.145 -0.972 . . . . 0.0 109.348 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.449 ' OE1' ' NE2' ' B' ' 12' ' ' GLN . 28.6 mt-30 -62.03 -40.63 96.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.3 -40.32 93.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.414 -0.804 . . . . 0.0 109.48 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.83 -40.92 98.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.223 -0.923 . . . . 0.0 109.006 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -60.02 -49.43 77.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 0.0 109.903 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.06 -40.86 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.847 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -43.22 92.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.298 -0.876 . . . . 0.0 108.986 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.16 -40.0 95.2 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.582 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 29.9 mmt180 -60.88 -40.06 91.58 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.18 -40.06 88.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.402 -0.811 . . . . 0.0 109.358 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -59.93 -43.38 94.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.717 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.56 -39.98 80.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.93 -1.106 . . . . 0.0 109.269 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.16 -40.1 96.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.215 -0.928 . . . . 0.0 109.098 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.13 -40.27 89.21 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.66 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.32 -39.97 88.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.1 mt -62.04 -41.51 98.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.153 -0.967 . . . . 0.0 110.066 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.02 -40.07 95.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.0 109.77 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.18 -40.46 85.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.277 -0.889 . . . . 0.0 109.299 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.94 -43.36 95.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.442 -0.786 . . . . 0.0 110.31 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.34 -47.0 92.99 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -49.21 78.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.185 -1.185 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.96 -40.0 87.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.118 -0.989 . . . . 0.0 110.029 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.97 -40.1 87.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.103 -0.998 . . . . 0.0 109.15 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.032 -1.043 . . . . 0.0 109.085 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.03 -39.87 87.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 0.0 109.407 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 44.4 p -60.16 -41.13 92.17 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.863 -1.148 . . . . 0.0 108.256 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.64 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.6 mtt-85 -63.24 -39.98 96.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.212 -0.93 . . . . 0.0 108.667 177.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -41.13 85.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.076 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.6 p -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.854 -1.154 . . . . 0.0 109.223 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.02 76.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.824 -1.173 . . . . 0.0 109.125 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.97 -44.19 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 111.11 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.19 -39.91 91.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.433 -1.417 . . . . 0.0 108.141 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.01 -43.19 95.4 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.194 -1.003 . . . . 0.0 108.769 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.541 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 36.0 m-85 -65.54 -39.97 92.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.937 -1.102 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.25 -40.02 88.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.79 -1.194 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 108.529 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.02 -39.65 86.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.585 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -59.91 -40.1 87.69 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.791 -1.193 . . . . 0.0 108.93 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.45 78.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 120.869 -1.144 . . . . 0.0 108.489 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 108.768 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.67 117.63 11.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 0.0 108.402 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 35.3 m120 -132.55 -63.22 0.8 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.362 -0.836 . . . . 0.0 110.597 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.97 116.68 4.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.111 -0.993 . . . . 0.0 110.349 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.794 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 92.0 m95 -102.98 131.71 49.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.559 -0.713 . . . . 0.0 110.229 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.54 20.56 68.02 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.567 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.16 23.01 0.11 Allowed 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.939 -1.33 . . . . 0.0 109.136 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -162.02 107.41 1.26 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -108.5 11.83 26.55 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.133 -0.979 . . . . 0.0 110.231 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.538 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.0 mtp180 -141.95 25.57 1.93 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.098 -1.001 . . . . 0.0 109.017 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.56 152.7 39.37 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -103.4 59.42 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 109.295 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.51 156.16 40.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.45 -0.782 . . . . 0.0 109.403 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -131.43 133.44 45.21 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.519 HG23 ' O ' ' B' ' 68' ' ' THR . 6.2 t -92.09 114.75 27.38 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.9 -1.125 . . . . 0.0 109.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 69' ' ' THR . 6.7 t -112.93 119.9 39.55 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.542 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 87.3 t -122.91 86.06 50.49 Favored Pre-proline 0 N--CA 1.496 1.842 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.11 63.28 4.21 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.902 2.401 . . . . 0.0 111.93 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.435 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 16.7 t90 -69.7 136.78 87.94 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.186 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.435 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 86.3 Cg_exo -42.45 146.56 0.71 Allowed 'Trans proline' 0 N--CA 1.487 1.129 0 C-N-CA 120.899 1.066 . . . . 0.0 110.309 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.48 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 55.7 t30 -131.94 4.24 4.13 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.355 -0.841 . . . . 0.0 109.498 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.41 7.83 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.5 107.18 14.05 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -79.21 136.94 37.23 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' B' ' 78' ' ' THR . 9.0 t -90.57 111.69 49.0 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.63 -49.52 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.163 0 C-N-CA 121.63 1.553 . . . . 0.0 114.73 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.14 -42.98 2.45 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.9 p90 -59.02 -50.03 75.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.182 -1.574 . . . . 0.0 111.729 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.1 t30 -72.87 -41.94 64.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.215 -1.553 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -50.08 75.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.993 . . . . 0.0 110.679 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.07 -44.39 96.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 47.5 p -70.08 -39.97 75.28 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.213 -0.929 . . . . 0.0 110.16 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.458 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 30.1 t-105 -66.18 -39.96 90.11 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.84 -1.162 . . . . 0.0 109.369 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.05 -42.83 95.3 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.567 -1.333 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.14 -41.55 92.95 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.458 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 59.0 t90 -60.01 -48.74 80.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.507 -0.746 . . . . 0.0 109.183 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.23 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.091 -1.006 . . . . 0.0 109.131 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.97 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.268 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -59.96 -42.27 93.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.884 -1.135 . . . . 0.0 110.002 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.08 -42.13 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.932 -1.105 . . . . 0.0 109.057 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.3 t0 -59.98 -46.86 88.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.375 -0.828 . . . . 0.0 110.497 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.55 -39.94 92.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.846 -1.159 . . . . 0.0 109.703 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.63 -41.62 88.05 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.026 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.19 -49.21 78.52 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.128 -0.983 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.86 -43.73 97.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.304 -0.872 . . . . 0.0 109.42 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.523 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.4 t-20 -60.07 -48.37 82.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.05 -44.88 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.344 -0.847 . . . . 0.0 109.603 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -59.93 -42.9 94.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.153 -0.967 . . . . 0.0 109.199 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.73 84.7 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.155 -0.965 . . . . 0.0 108.748 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.93 -46.72 88.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.425 -0.797 . . . . 0.0 109.544 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.28 -41.14 96.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.244 -0.91 . . . . 0.0 109.257 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.03 -47.83 84.24 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.274 -0.891 . . . . 0.0 109.151 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.38 -40.08 93.06 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.22 94.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.286 -0.884 . . . . 0.0 109.502 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.06 -48.73 80.52 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.12 -46.34 93.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.228 -0.92 . . . . 0.0 109.155 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.48 -40.99 96.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.94 -50.09 75.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.154 -0.967 . . . . 0.0 108.875 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.531 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -61.18 -39.99 92.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.219 -0.926 . . . . 0.0 109.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.34 -40.01 95.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.978 -1.076 . . . . 0.0 109.234 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' B' ' 115' ' ' MET . 1.4 tmt? -69.74 -40.05 76.4 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' TYR . . . . . 0.476 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 65.2 t80 -59.99 -47.25 86.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.452 -0.78 . . . . 0.0 109.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.99 -40.19 88.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.446 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.3 95.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.877 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' LYS . . . . . 0.476 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.7 mmtm -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.111 -0.993 . . . . 0.0 109.13 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 121' ' ' LEU . 83.5 mt -59.33 -46.81 87.58 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -124.7 59.93 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.683 -0.636 . . . . 0.0 109.537 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.468 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.244 0.545 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 88.1 mt-30 -74.11 144.32 44.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.211 -0.931 . . . . 0.0 109.239 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.8 59.16 4.94 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.037 -1.039 . . . . 0.0 108.655 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.02 -39.94 94.13 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.492 -0.755 . . . . 0.0 109.177 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.524 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.2 t -60.31 -43.96 95.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.353 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.524 ' N ' HG23 ' C' ' 5' ' ' THR . 62.8 tp -62.56 -42.1 99.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 108.697 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.3 -40.1 92.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.32 -0.862 . . . . 0.0 109.616 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.27 88.48 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.207 -0.933 . . . . 0.0 108.554 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.51 -45.37 60.06 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -47.73 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.398 -1.06 . . . . 0.0 109.365 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.96 -40.42 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.473 ' NE2' ' C ' ' C' ' 12' ' ' GLN . 0.8 OUTLIER -61.63 -40.0 93.31 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -60.06 -44.05 94.98 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.862 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.95 -40.46 93.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -42.77 94.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.008 -1.057 . . . . 0.0 109.197 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.438 ' OE1' ' NE2' ' C' ' 12' ' ' GLN . 28.7 mt-30 -62.23 -40.06 94.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.73 -40.13 91.86 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.273 -0.892 . . . . 0.0 109.391 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.9 -40.78 98.62 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.0 -49.63 76.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 109.862 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.98 -40.94 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.04 -1.038 . . . . 0.0 109.79 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -43.16 91.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.13 -40.29 95.85 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.497 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 30.0 mmt180 -60.53 -40.18 90.56 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.18 -40.09 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.319 -0.863 . . . . 0.0 109.302 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -59.94 -43.25 95.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.616 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.65 -39.97 80.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.941 -1.099 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.0 -40.16 96.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 109.182 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.13 -40.09 88.57 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.553 -0.717 . . . . 0.0 109.711 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.57 -40.04 90.2 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.066 -1.021 . . . . 0.0 109.599 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.6 mt -61.93 -41.64 98.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 109.967 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.6 p -63.97 -40.0 95.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.755 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.25 -40.46 86.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 0.0 109.291 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.01 -42.83 95.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -0.84 . . . . 0.0 110.377 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.53 93.99 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.18 -49.33 78.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 0.0 109.966 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -60.02 -39.96 87.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.087 -1.008 . . . . 0.0 109.986 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.93 -40.1 87.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.922 -1.111 . . . . 0.0 109.363 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.149 -0.969 . . . . 0.0 108.994 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.98 -39.96 87.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.439 -0.788 . . . . 0.0 109.386 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.2 p -59.99 -41.06 91.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.873 -1.142 . . . . 0.0 108.431 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.59 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.4 mtt-85 -63.52 -40.02 95.95 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -40.72 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.404 -0.81 . . . . 0.0 109.147 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.6 p -60.44 -39.97 89.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.867 -1.145 . . . . 0.0 109.246 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.56 -40.05 77.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.847 -1.158 . . . . 0.0 109.041 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.41 -43.72 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.411 -0.806 . . . . 0.0 111.05 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.48 -39.92 92.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.399 -1.438 . . . . 0.0 108.105 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.98 -43.4 95.13 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.285 -0.966 . . . . 0.0 108.523 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.544 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.5 m-85 -65.33 -40.19 93.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.91 -1.119 . . . . 0.0 110.046 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.758 -1.214 . . . . 0.0 109.144 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.845 -1.159 . . . . 0.0 108.515 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 48.9 t0 -59.93 -39.72 86.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 109.127 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.581 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -59.98 -39.41 85.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.969 -1.082 . . . . 0.0 108.932 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.43 80.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.996 -1.065 . . . . 0.0 108.39 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.93 -40.12 87.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.0 108.74 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.65 118.02 11.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.0 108.339 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 35.4 m120 -132.9 -63.0 0.79 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.359 -0.838 . . . . 0.0 110.466 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.794 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.05 116.88 4.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.197 -0.94 . . . . 0.0 110.3 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.798 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 92.3 m95 -103.16 131.42 50.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.481 -0.762 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.59 20.43 67.98 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.044 -1.075 . . . . 0.0 110.62 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -74.83 23.24 0.1 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.927 -1.337 . . . . 0.0 108.985 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -162.4 107.42 1.19 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -108.75 11.77 26.13 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.164 -0.96 . . . . 0.0 110.233 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 56.3 mtp180 -142.09 25.8 1.89 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.124 -0.985 . . . . 0.0 108.878 177.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.79 152.29 38.53 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.3 t -103.09 59.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.254 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.1 156.29 41.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.369 -0.832 . . . . 0.0 109.445 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -131.53 133.11 44.73 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.535 HG23 ' O ' ' C' ' 68' ' ' THR . 6.0 t -91.92 114.62 27.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.832 -1.168 . . . . 0.0 109.376 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.525 HG23 ' O ' ' C' ' 69' ' ' THR . 6.7 t -112.81 120.02 40.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.564 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 84.9 t -122.95 86.18 50.65 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -86.97 63.34 4.34 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.984 2.456 . . . . 0.0 111.88 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.442 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 16.6 t90 -69.92 136.61 87.44 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.444 -0.785 . . . . 0.0 109.172 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.442 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 87.2 Cg_exo -42.25 146.86 0.6 Allowed 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 120.909 1.073 . . . . 0.0 110.218 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.53 ' OD1' ' NE2' ' B' ' 52' ' ' GLN . 55.1 t30 -132.28 4.11 4.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.09 7.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.564 -0.71 . . . . 0.0 109.159 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.14 107.33 13.85 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -79.17 136.73 37.19 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' C' ' 78' ' ' THR . 8.8 t -90.41 111.78 49.2 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -92.56 -49.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.74 1.626 . . . . 0.0 114.792 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.17 -42.61 2.47 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.198 -0.939 . . . . 0.0 113.528 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.0 p90 -59.29 -49.97 75.78 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.17 -1.581 . . . . 0.0 111.757 -175.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.64 ' ND2' HH21 ' B' ' 41' ' ' ARG . 57.4 t30 -72.98 -41.76 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.109 -1.619 . . . . 0.0 110.635 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.01 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 110.441 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.23 -44.3 96.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.846 -1.158 . . . . 0.0 109.526 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -70.0 -39.97 75.55 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.025 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 30.1 t-105 -66.32 -39.96 89.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.824 -1.172 . . . . 0.0 109.351 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.05 -42.93 95.55 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.114 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -41.54 92.3 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.474 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.04 -49.42 77.72 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.4 -40.19 95.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 109.268 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -59.99 -46.36 89.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.307 -0.87 . . . . 0.0 110.375 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.02 -42.14 93.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.925 -1.11 . . . . 0.0 110.047 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.61 -41.96 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.961 -1.087 . . . . 0.0 108.933 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.0 -47.07 87.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.24 -40.05 93.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.784 -1.197 . . . . 0.0 109.853 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.51 -41.6 88.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.017 -1.052 . . . . 0.0 109.106 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -49.16 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.206 -0.934 . . . . 0.0 109.001 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.79 -44.16 97.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.303 -0.873 . . . . 0.0 109.26 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.582 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.2 t-20 -60.04 -48.15 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.295 -0.878 . . . . 0.0 109.507 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.0 -44.84 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.198 -0.939 . . . . 0.0 109.539 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -60.02 -42.51 94.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.63 85.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.106 -0.996 . . . . 0.0 108.816 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.96 -46.5 89.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.532 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.5 -41.08 96.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.225 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -47.91 83.87 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.204 -0.935 . . . . 0.0 109.199 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.29 -39.94 93.18 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.264 -0.898 . . . . 0.0 109.299 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.19 94.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.35 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -48.64 80.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.077 -1.014 . . . . 0.0 109.535 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.11 -46.32 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.133 -0.979 . . . . 0.0 109.263 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.498 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.907 . . . . 0.0 108.868 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.2 -42.62 95.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.577 -0.702 . . . . 0.0 109.408 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.6 -39.91 94.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.034 -1.041 . . . . 0.0 109.318 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 115' ' ' MET . . . . . 0.424 ' C ' ' SD ' ' C' ' 115' ' ' MET . 1.4 tmt? -69.88 -40.02 75.94 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 116' ' ' TYR . . . . . 0.431 ' OH ' ' NZ ' ' C' ' 120' ' ' LYS . 64.8 t80 -59.96 -47.25 86.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.399 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.03 -40.16 88.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.48 -0.763 . . . . 0.0 109.473 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.2 mt-30 -60.36 -42.61 96.12 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.109 -0.995 . . . . 0.0 109.997 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 120' ' ' LYS . . . . . 0.431 ' NZ ' ' OH ' ' C' ' 116' ' ' TYR . 39.8 mmtm -59.94 -38.69 83.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.963 . . . . 0.0 109.381 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 121' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 121' ' ' LEU . 83.0 mt -59.96 -46.68 88.63 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -124.86 60.2 1.2 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.259 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' B' ' 2' ' ' GLN . 26.2 mm100 -69.69 143.87 53.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.565 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -90.56 61.42 4.89 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.249 -0.907 . . . . 0.0 109.196 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.35 -39.95 94.81 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.895 . . . . 0.0 109.332 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 5.4 t -60.2 -45.6 92.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.186 -0.946 . . . . 0.0 109.7 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 58.7 tp -60.17 -43.13 96.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.12 -0.988 . . . . 0.0 108.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.76 -40.0 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.498 -0.751 . . . . 0.0 109.765 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 12' ' ' GLN . . . -59.76 -43.74 94.17 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.014 -1.054 . . . . 0.0 108.402 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.73 -47.23 88.46 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.625 -1.79 . . . . 0.0 108.625 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.72 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.349 -1.089 . . . . 0.0 109.446 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -47.87 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.005 -1.059 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' NE2' ' N ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -59.95 -40.0 87.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.145 -0.972 . . . . 0.0 109.692 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.48 92.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.033 . . . . 0.0 109.166 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.95 -41.17 95.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.942 -1.099 . . . . 0.0 109.142 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.08 -43.8 95.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.22 -41.16 97.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -41.96 99.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.054 . . . . 0.0 109.327 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.0 -45.07 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.09 -47.2 86.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.06 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.42 -40.47 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.989 -1.069 . . . . 0.0 109.838 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.97 -41.54 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.17 -0.956 . . . . 0.0 108.934 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.44 -40.46 94.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.536 -0.727 . . . . 0.0 109.134 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.559 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.1 mmt180 -60.25 -40.6 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.219 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.46 -39.91 89.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.211 -0.93 . . . . 0.0 109.32 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.12 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.0 109.39 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.86 -43.84 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.23 -0.919 . . . . 0.0 109.665 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.82 -40.1 94.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.903 . . . . 0.0 109.705 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.04 -40.42 89.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.65 -40.24 91.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.9 mt -62.73 -40.54 97.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.062 -1.024 . . . . 0.0 110.041 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 p -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.928 -1.108 . . . . 0.0 109.807 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.319 -0.863 . . . . 0.0 109.102 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -60.06 -42.33 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -47.37 91.35 Favored Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.672 -1.251 . . . . 0.0 110.137 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -49.92 75.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.109 -1.23 . . . . 0.0 109.309 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 0.0 109.922 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.669 HD21 HH21 ' A' ' 41' ' ' ARG . 51.7 t-20 -59.88 -40.09 87.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.965 -1.084 . . . . 0.0 109.373 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.17 -40.14 92.76 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.03 -1.044 . . . . 0.0 109.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.92 -40.4 88.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.095 -1.003 . . . . 0.0 109.77 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.9 p -60.03 -40.17 88.44 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.669 HH21 HD21 ' A' ' 37' ' ' ASN . 27.4 mtt-85 -63.06 -40.03 96.47 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -40.88 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.247 -0.908 . . . . 0.0 108.861 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.0 p -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.5 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.12 85.22 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.422 -1.424 . . . . 0.0 108.454 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.12 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 0.0 109.689 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.04 -40.04 88.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.068 -1.02 . . . . 0.0 109.313 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.84 -39.94 95.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.384 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 44.4 m-85 -65.24 -39.19 92.38 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.04 -39.6 86.48 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.952 -1.093 . . . . 0.0 108.392 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.09 -39.92 87.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.568 -1.333 . . . . 0.0 108.291 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 54.2 t0 -60.14 -38.4 82.97 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 4.0 tm0? -59.05 -39.89 83.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.114 -0.992 . . . . 0.0 109.187 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.02 -38.67 83.37 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 120.756 -1.215 . . . . 0.0 108.376 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.96 -40.01 87.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.802 . . . . 0.0 110.087 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD12 ' NE2' ' B' ' 52' ' ' GLN . 55.0 mt -74.91 114.21 13.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.192 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -133.5 -55.28 0.9 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.389 -0.82 . . . . 0.0 110.242 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.653 ' HB3' HG23 ' A' ' 68' ' ' THR . . . -155.57 115.79 3.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.066 -1.021 . . . . 0.0 110.029 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -102.1 118.87 37.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.364 -0.835 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.17 27.66 73.53 Favored Glycine 0 N--CA 1.494 2.525 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.166 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 21.99 0.1 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.545 -1.562 . . . . 0.0 109.289 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.52 114.31 1.85 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.146 -0.971 . . . . 0.0 109.474 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 34.5 m-85 -115.05 11.8 16.53 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.399 -0.813 . . . . 0.0 110.524 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 51.3 mtp180 -140.09 25.46 2.29 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.935 -1.103 . . . . 0.0 108.081 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 42.2 mt-30 -141.7 152.89 44.27 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.17 56.45 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.65 156.17 40.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.493 -0.755 . . . . 0.0 109.437 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -132.02 133.24 44.21 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -91.02 110.1 21.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.294 -179.262 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 69' ' ' THR . 9.1 t -118.43 122.79 43.63 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -126.56 85.7 59.88 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.528 -0.732 . . . . 0.0 109.921 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -86.95 60.82 4.08 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 C-N-CA 122.692 2.261 . . . . 0.0 111.019 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.0 t90 -69.97 135.45 87.45 Favored Pre-proline 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 109.353 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.1 Cg_exo -40.28 150.09 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.441 1.427 . . . . 0.0 110.626 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 38.5 t30 -127.31 -57.12 1.31 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.287 -0.883 . . . . 0.0 109.605 -178.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.29 126.68 35.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.027 -1.046 . . . . 0.0 108.548 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.7 p -80.93 110.75 16.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.872 -1.142 . . . . 0.0 108.043 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.4 mt -79.55 135.09 36.52 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.491 0.662 . . . . 0.0 110.243 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 78' ' ' THR . 6.4 t -93.5 113.7 60.92 Favored Pre-proline 0 N--CA 1.493 1.721 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -92.18 -48.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.744 1.629 . . . . 0.0 114.418 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.47 -43.93 2.38 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.8 p90 -60.04 -47.33 86.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.366 -1.459 . . . . 0.0 112.415 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 61.6 t30 -71.15 -45.04 64.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.012 -1.68 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.051 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.12 -44.54 97.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.783 -1.198 . . . . 0.0 109.404 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.8 p -69.95 -40.07 75.68 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.853 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -69.05 -40.09 78.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.987 -1.07 . . . . 0.0 109.497 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.02 -41.31 91.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.687 -1.258 . . . . 0.0 108.846 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.04 -40.11 94.64 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.049 -1.032 . . . . 0.0 108.64 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.449 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.7 t90 -59.99 -50.05 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -0.785 . . . . 0.0 109.18 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -63.15 -41.76 99.34 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.15 -0.969 . . . . 0.0 109.612 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.04 -42.42 94.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.0 -42.26 93.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.836 -1.165 . . . . 0.0 108.941 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.352 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.54 -40.28 90.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.116 -0.99 . . . . 0.0 110.893 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.79 -40.05 79.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.851 -1.156 . . . . 0.0 109.755 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.38 -40.28 89.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 109.518 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.29 -44.36 95.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.964 -1.085 . . . . 0.0 109.771 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -47.4 85.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.107 -0.996 . . . . 0.0 109.417 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.519 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -59.97 -46.59 88.94 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.604 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.04 -44.69 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.259 -0.9 . . . . 0.0 109.687 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 p -60.34 -42.37 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.735 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.081 -1.012 . . . . 0.0 109.505 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.99 -45.62 92.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.434 -0.791 . . . . 0.0 109.506 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -41.59 92.39 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.164 -0.96 . . . . 0.0 109.497 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.02 -46.64 88.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.107 -0.996 . . . . 0.0 109.708 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.43 95.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.048 -1.032 . . . . 0.0 109.475 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.73 86.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.262 -0.899 . . . . 0.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.443 ' O ' ' OE1' ' A' ' 112' ' ' GLU . 94.9 mt-30 -60.79 -43.67 97.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.115 -0.991 . . . . 0.0 109.727 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.86 -39.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.926 -1.109 . . . . 0.0 109.22 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -69.56 -39.98 77.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.583 -0.698 . . . . 0.0 109.936 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.99 -49.22 78.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.151 -0.968 . . . . 0.0 109.972 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.566 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.3 mp0 -60.02 -43.14 95.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.984 -1.073 . . . . 0.0 109.258 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -61.01 -41.43 96.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.058 -1.026 . . . . 0.0 110.18 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.37 -48.43 79.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.825 -1.172 . . . . 0.0 109.834 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.98 -39.91 95.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.094 -1.004 . . . . 0.0 109.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -60.03 -47.28 86.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.31 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.19 -40.07 96.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 109.21 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.07 -42.86 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.27 -40.03 92.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.092 -1.005 . . . . 0.0 109.666 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.49 -40.06 89.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.634 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.24 -46.92 87.19 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.77 60.54 0.9 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' GLN . 4.4 p . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.114 -0.991 . . . . 0.0 109.225 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 25.9 mm100 -70.03 143.86 52.39 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -90.47 61.52 4.98 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.282 -0.886 . . . . 0.0 109.278 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.29 -40.02 94.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 109.404 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.5 t -60.29 -45.39 93.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' B' ' 5' ' ' THR . 59.1 tp -60.35 -43.26 96.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.01 -1.056 . . . . 0.0 108.76 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.55 -39.96 89.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.499 -0.75 . . . . 0.0 109.885 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' B' ' 12' ' ' GLN . . . -59.95 -43.6 94.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.131 -0.981 . . . . 0.0 108.473 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.76 -47.36 87.14 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -49.71 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.407 -1.055 . . . . 0.0 109.43 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.95 -47.62 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.022 -1.049 . . . . 0.0 109.469 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 12' ' ' GLN . 0.2 OUTLIER -60.15 -40.07 88.57 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 109.501 179.412 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.96 -41.4 91.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.078 -1.014 . . . . 0.0 109.187 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.12 -41.07 96.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.23 -43.55 95.96 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 109.181 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -64.31 -41.14 96.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.312 -0.867 . . . . 0.0 109.577 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.11 -42.3 99.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.969 . . . . 0.0 109.322 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.01 -44.88 94.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.277 -0.89 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.03 -47.25 86.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.03 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.43 -40.56 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.98 -41.2 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.115 -0.99 . . . . 0.0 109.103 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.72 -40.19 94.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.439 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.4 mmt180 -60.64 -40.54 92.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 109.064 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.51 -39.99 89.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 109.239 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -60.04 -49.12 78.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.43 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.28 -43.55 98.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.06 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 109.693 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.95 -40.53 89.32 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.388 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.65 -40.3 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.109 -0.994 . . . . 0.0 110.038 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.7 mt -62.62 -40.5 97.18 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.145 -0.972 . . . . 0.0 110.047 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.6 p -63.04 -40.0 96.42 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.957 -1.089 . . . . 0.0 109.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.16 -40.05 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -0.905 . . . . 0.0 109.009 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -60.07 -42.28 94.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.44 -0.787 . . . . 0.0 110.214 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.31 91.61 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.141 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -49.82 76.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.057 -1.261 . . . . 0.0 109.434 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.04 -39.96 87.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.0 109.877 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.653 HD21 HH21 ' B' ' 41' ' ' ARG . 51.6 t-20 -60.02 -39.99 87.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.035 -1.041 . . . . 0.0 109.426 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.15 -40.2 92.95 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.088 -1.007 . . . . 0.0 109.857 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.95 -40.26 88.41 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.031 -1.043 . . . . 0.0 109.724 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -59.98 -40.6 89.68 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.653 HH21 HD21 ' B' ' 37' ' ' ASN . 27.5 mtt-85 -62.86 -39.91 95.84 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.83 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.18 -0.95 . . . . 0.0 108.914 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -59.94 -40.05 87.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.032 -1.043 . . . . 0.0 108.461 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.17 84.5 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.433 -1.417 . . . . 0.0 108.445 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.17 -39.92 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.507 -0.745 . . . . 0.0 109.591 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.14 -40.02 88.36 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.084 -1.01 . . . . 0.0 109.336 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.78 -40.03 95.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.827 -1.171 . . . . 0.0 109.435 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 44.8 m-85 -65.1 -39.14 92.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.052 -1.03 . . . . 0.0 109.792 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.97 -1.081 . . . . 0.0 108.386 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.582 -1.324 . . . . 0.0 108.362 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.02 -38.72 83.49 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 4.0 tm0? -58.78 -39.98 82.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.071 -1.018 . . . . 0.0 109.122 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.481 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -59.97 -38.65 83.16 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 120.735 -1.228 . . . . 0.0 108.359 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.367 -0.833 . . . . 0.0 110.025 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt -74.92 113.84 12.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.251 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -133.23 -55.36 0.91 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.454 -0.779 . . . . 0.0 110.26 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.635 ' HB3' HG23 ' B' ' 68' ' ' THR . . . -155.48 115.68 3.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.095 -1.003 . . . . 0.0 109.988 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -101.99 118.94 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.424 -0.797 . . . . 0.0 110.376 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.08 27.64 73.52 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.107 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 22.19 0.1 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.448 -1.619 . . . . 0.0 109.311 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -161.68 114.18 1.8 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.286 -0.884 . . . . 0.0 109.498 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.505 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 34.7 m-85 -114.98 11.74 16.58 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 110.568 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 52.2 mtp180 -140.13 25.44 2.28 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 42.0 mt-30 -141.59 152.84 44.39 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.26 56.54 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.5 156.03 40.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.532 -0.73 . . . . 0.0 109.528 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -131.75 133.3 44.64 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.635 HG23 ' HB3' ' B' ' 57' ' ' ALA . 0.0 OUTLIER -91.21 109.96 21.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.63 -1.294 . . . . 0.0 109.331 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 69' ' ' THR . 8.9 t -118.45 122.68 43.35 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.33 85.82 59.32 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.618 -0.676 . . . . 0.0 109.869 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.89 60.74 4.12 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 122.677 2.252 . . . . 0.0 110.944 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -69.98 135.54 87.43 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 121.642 -0.661 . . . . 0.0 109.25 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.7 Cg_exo -40.37 150.17 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.412 1.408 . . . . 0.0 110.506 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 38.9 t30 -127.31 -57.37 1.3 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.241 -0.912 . . . . 0.0 109.49 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.02 126.84 35.6 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.134 -0.979 . . . . 0.0 108.536 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -81.0 110.78 16.87 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.92 -1.112 . . . . 0.0 108.038 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.64 134.95 36.45 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.616 0.722 . . . . 0.0 110.272 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.568 HG23 ' O ' ' B' ' 78' ' ' THR . 6.6 t -93.43 113.66 60.77 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -92.17 -48.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.849 1.7 . . . . 0.0 114.379 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -121.56 -43.98 2.37 Favored 'General case' 0 N--CA 1.508 2.443 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -59.96 -47.48 85.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.345 -1.472 . . . . 0.0 112.322 -175.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 61.5 t30 -71.16 -45.02 64.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.013 -1.68 . . . . 0.0 109.991 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.97 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.849 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.32 -44.28 97.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.829 -1.169 . . . . 0.0 109.571 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.7 p -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.074 -1.016 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -69.3 -39.97 77.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.04 -1.037 . . . . 0.0 109.483 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.0 -41.48 92.18 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 120.801 -1.187 . . . . 0.0 108.854 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.0 -40.12 94.57 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.117 -0.989 . . . . 0.0 108.621 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.0 t90 -59.95 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.521 -0.737 . . . . 0.0 109.18 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -63.24 -41.84 99.14 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.334 -0.853 . . . . 0.0 109.522 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -60.08 -42.25 94.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 110.47 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.1 -42.17 94.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.702 -1.248 . . . . 0.0 108.974 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.89 -40.53 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.228 -0.92 . . . . 0.0 109.343 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.84 -40.02 91.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.132 -0.98 . . . . 0.0 110.836 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -69.0 -40.02 78.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.818 -1.176 . . . . 0.0 109.673 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.5 -40.37 89.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.119 -0.988 . . . . 0.0 109.571 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -44.27 96.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 109.832 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.48 85.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.559 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.6 t-20 -59.96 -46.53 89.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.324 -0.86 . . . . 0.0 109.667 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.04 -44.58 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.263 -0.898 . . . . 0.0 109.716 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 37.7 p -60.54 -42.5 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.983 -1.073 . . . . 0.0 109.734 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.08 78.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 109.45 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.97 -45.59 92.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 109.728 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.08 -41.65 92.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.36 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.01 -46.84 88.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.612 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.41 -40.76 96.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.983 -1.073 . . . . 0.0 109.486 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.25 87.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.234 -0.916 . . . . 0.0 109.586 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 112' ' ' GLU . 95.1 mt-30 -60.45 -43.61 96.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 109.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.0 -39.96 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.865 -1.147 . . . . 0.0 109.212 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -69.53 -39.99 77.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.528 -0.732 . . . . 0.0 109.96 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -60.03 -49.12 78.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 0.0 109.93 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 3.3 mp0 -60.07 -43.0 95.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 109.262 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -61.12 -41.46 96.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.099 -1.0 . . . . 0.0 110.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -62.46 -48.38 79.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.822 -1.174 . . . . 0.0 109.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 109.131 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -60.1 -47.16 87.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.383 -0.823 . . . . 0.0 109.303 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.12 -40.26 97.08 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.148 -0.97 . . . . 0.0 109.246 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.1 -42.84 95.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.364 -0.835 . . . . 0.0 109.887 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -61.36 -39.98 92.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.966 -1.084 . . . . 0.0 109.645 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.32 -39.99 88.99 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.434 -0.791 . . . . 0.0 109.692 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.56 -46.86 87.67 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.82 60.73 0.9 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 119' ' ' GLN . 4.3 p . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.088 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 26.1 mm100 -69.95 143.92 52.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.281 -0.887 . . . . 0.0 109.641 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -90.47 61.38 4.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.303 -0.873 . . . . 0.0 109.208 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.46 -40.03 95.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 109.417 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' C' ' 6' ' ' LEU . 5.7 t -60.19 -45.45 93.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.117 -0.989 . . . . 0.0 109.732 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' C' ' 5' ' ' THR . 58.7 tp -60.12 -43.34 95.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.905 -1.122 . . . . 0.0 108.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.68 -39.84 89.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 0.0 109.772 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' ALA . . . . . 0.542 ' O ' ' NE2' ' C' ' 12' ' ' GLN . . . -59.95 -43.84 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.064 -1.023 . . . . 0.0 108.471 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.58 -47.24 88.77 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.571 -1.811 . . . . 0.0 108.571 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.68 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.301 -1.117 . . . . 0.0 109.432 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.04 -47.92 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.965 -1.084 . . . . 0.0 109.364 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' C' ' 8' ' ' ALA . 1.0 OUTLIER -59.92 -40.09 87.69 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.108 -0.995 . . . . 0.0 109.586 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.16 91.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.122 -0.986 . . . . 0.0 109.228 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.21 -41.14 96.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.074 -1.016 . . . . 0.0 109.157 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -43.85 95.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.356 -0.84 . . . . 0.0 109.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.36 -40.85 96.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.29 -0.881 . . . . 0.0 109.543 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.26 -42.43 99.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.13 -0.981 . . . . 0.0 109.284 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.98 -44.93 94.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 108.774 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.02 -47.11 87.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.257 -0.902 . . . . 0.0 110.047 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.49 -40.57 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.939 -1.101 . . . . 0.0 109.838 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.98 -41.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.074 -1.016 . . . . 0.0 108.939 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.58 -40.12 93.62 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.518 -0.739 . . . . 0.0 109.213 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.519 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.61 -40.5 92.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.135 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.59 -40.05 90.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.181 -0.949 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -59.9 -49.1 79.01 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 109.503 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.47 -43.38 98.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 109.567 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.21 -40.09 94.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.354 -0.841 . . . . 0.0 109.664 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.93 -40.45 88.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.68 -40.41 92.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.298 -0.876 . . . . 0.0 110.093 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.449 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -62.64 -40.41 96.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.146 -0.971 . . . . 0.0 110.05 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 63.3 p -63.07 -40.0 96.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.989 -1.07 . . . . 0.0 109.699 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 108.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -59.91 -42.46 93.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.368 -0.832 . . . . 0.0 110.372 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.1 92.69 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.513 -1.327 . . . . 0.0 110.135 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.05 -49.89 75.86 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.961 -1.317 . . . . 0.0 109.443 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.98 -39.95 87.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 109.849 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.656 HD21 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -60.07 -39.95 87.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.082 -1.012 . . . . 0.0 109.308 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.99 -40.12 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.062 -1.024 . . . . 0.0 109.929 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.035 -1.041 . . . . 0.0 109.741 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 70.6 p -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.656 HH21 HD21 ' C' ' 37' ' ' ASN . 27.2 mtt-85 -63.16 -39.95 96.14 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -40.75 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.235 -0.915 . . . . 0.0 108.738 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.8 p -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.475 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -45.12 85.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 108.451 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.21 -40.05 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.11 -39.91 87.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.109 -0.994 . . . . 0.0 109.416 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.93 -40.03 95.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.877 -1.14 . . . . 0.0 109.436 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 44.2 m-85 -64.89 -39.29 93.29 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 109.852 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.97 -39.76 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 108.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.464 -1.397 . . . . 0.0 108.318 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' C' ' 51' ' ' ASP . 55.3 t0 -60.04 -38.33 82.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.0 108.614 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 4.0 tm0? -59.16 -39.96 84.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.108 -0.995 . . . . 0.0 109.146 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.482 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -59.98 -38.7 83.34 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.79 -1.194 . . . . 0.0 108.333 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -60.01 -39.95 87.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.801 . . . . 0.0 110.041 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.442 HD12 ' NE2' ' A' ' 52' ' ' GLN . 54.7 mt -74.83 113.99 12.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.908 -1.12 . . . . 0.0 109.162 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -133.33 -55.45 0.91 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.459 -0.775 . . . . 0.0 110.182 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.646 ' HB3' HG23 ' C' ' 68' ' ' THR . . . -155.57 115.6 3.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.164 -0.96 . . . . 0.0 110.113 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -101.87 118.79 37.64 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.366 -0.834 . . . . 0.0 110.424 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.38 27.21 73.5 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.191 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.35 22.29 0.09 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.518 -1.578 . . . . 0.0 109.374 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -161.78 114.19 1.78 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.182 -0.949 . . . . 0.0 109.576 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 62' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 34.8 m-85 -115.02 12.03 16.61 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.402 -0.811 . . . . 0.0 110.54 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' B' ' 63' ' ' ARG . 51.3 mtp180 -140.25 25.3 2.27 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 64' ' ' GLN . . . . . 0.505 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 42.3 mt-30 -141.61 152.86 44.38 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.21 56.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.047 . . . . 0.0 108.199 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.42 156.14 40.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.597 -0.69 . . . . 0.0 109.481 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -131.86 133.26 44.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.646 HG23 ' HB3' ' C' ' 57' ' ' ALA . 0.0 OUTLIER -91.09 110.0 21.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.643 -1.285 . . . . 0.0 109.309 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.514 HG23 ' O ' ' C' ' 69' ' ' THR . 8.8 t -118.37 122.72 43.54 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 85.0 t -126.47 85.8 59.55 Favored Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.554 -0.716 . . . . 0.0 109.83 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -86.85 60.7 4.15 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 C-N-CA 122.703 2.269 . . . . 0.0 111.099 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' C' ' 73' ' ' PRO . 16.1 t90 -69.85 135.25 87.74 Favored Pre-proline 0 C--N 1.302 -1.461 0 O-C-N 121.591 -0.693 . . . . 0.0 109.352 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' C' ' 72' ' ' TRP . 99.9 Cg_exo -40.13 150.26 0.11 Allowed 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.388 1.392 . . . . 0.0 110.628 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 38.8 t30 -127.45 -57.4 1.29 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.329 -0.857 . . . . 0.0 109.58 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.04 126.74 35.56 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -81.08 110.83 16.97 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.865 -1.147 . . . . 0.0 107.971 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt -79.8 134.99 36.38 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.581 0.705 . . . . 0.0 110.212 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.546 HG23 ' O ' ' C' ' 78' ' ' THR . 6.4 t -93.47 113.47 60.28 Favored Pre-proline 0 N--CA 1.494 1.746 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -91.98 -48.17 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.705 1.603 . . . . 0.0 114.403 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -121.57 -43.91 2.37 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.172 -0.955 . . . . 0.0 113.52 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.359 -1.463 . . . . 0.0 112.39 -175.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.0 t30 -71.18 -44.98 64.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.067 -1.646 . . . . 0.0 109.986 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.03 -50.02 75.37 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.182 -0.949 . . . . 0.0 109.916 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.07 -44.31 97.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.837 -1.165 . . . . 0.0 109.523 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 81' ' ' TRP . 74.5 p -70.03 -39.96 75.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -69.34 -40.06 77.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.993 -1.067 . . . . 0.0 109.514 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.0 -41.25 91.69 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.832 -1.168 . . . . 0.0 108.843 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.18 -40.03 94.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.038 -1.039 . . . . 0.0 108.716 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.9 t90 -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.47 -0.769 . . . . 0.0 109.123 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -63.33 -41.5 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.63 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.17 -42.42 94.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.105 -0.997 . . . . 0.0 110.403 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -59.91 -42.37 93.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.783 -1.198 . . . . 0.0 109.082 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.72 -40.92 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.335 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.55 -40.14 90.5 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.084 -1.01 . . . . 0.0 110.813 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -68.89 -39.92 79.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.941 -1.099 . . . . 0.0 109.684 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.12 -0.988 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.19 -44.0 96.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.962 -1.086 . . . . 0.0 109.75 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.24 -47.54 85.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.149 -0.969 . . . . 0.0 109.428 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.439 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.7 t-20 -60.01 -46.44 89.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.29 -0.881 . . . . 0.0 109.63 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.01 -44.71 95.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.181 -0.949 . . . . 0.0 109.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 37.4 p -60.55 -42.41 96.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.988 -1.07 . . . . 0.0 109.677 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -49.01 79.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.128 -0.982 . . . . 0.0 109.463 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.303 -0.873 . . . . 0.0 109.542 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.99 -41.65 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -0.924 . . . . 0.0 109.496 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.06 -46.7 88.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.151 -0.968 . . . . 0.0 109.684 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.44 -40.58 96.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.934 -1.104 . . . . 0.0 109.598 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.9 86.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' C' ' 112' ' ' GLU . 94.8 mt-30 -60.73 -43.46 97.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.096 -1.002 . . . . 0.0 109.732 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -70.0 -40.08 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.906 -1.121 . . . . 0.0 109.208 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -69.59 -39.99 76.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.39 -0.819 . . . . 0.0 109.91 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.98 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 0.0 109.829 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 112' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 3.3 mp0 -59.95 -43.31 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.253 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.84 -41.72 96.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.158 -0.964 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -62.18 -48.42 80.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.921 -1.112 . . . . 0.0 109.931 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.7 ttp -63.77 -40.05 95.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.1 -1.0 . . . . 0.0 109.204 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.99 -47.27 86.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.803 . . . . 0.0 109.395 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.07 -39.99 96.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.138 -0.976 . . . . 0.0 109.213 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.34 -42.87 96.59 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 109.813 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.3 mt-30 -61.24 -40.27 93.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.026 -1.046 . . . . 0.0 109.624 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.05 -39.98 87.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.44 -0.787 . . . . 0.0 109.774 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.51 -46.95 87.36 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -120.7 60.51 0.9 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.571 -0.706 . . . . 0.0 109.134 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.414 ' N ' ' O ' ' C' ' 119' ' ' GLN . 4.5 p . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.272 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.3 mt-30 -69.99 144.3 52.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.088 -1.008 . . . . 0.0 109.327 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.75 57.73 4.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 108.874 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.39 -39.99 92.89 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.477 -0.764 . . . . 0.0 109.042 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.55 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.6 t -60.1 -45.4 93.09 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.329 -0.857 . . . . 0.0 109.557 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.55 ' N ' HG23 ' A' ' 5' ' ' THR . 62.7 tp -60.34 -44.39 95.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.084 -1.01 . . . . 0.0 108.697 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.3 -40.11 89.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.412 -0.805 . . . . 0.0 109.718 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.69 56.43 Favored Glycine 0 N--CA 1.487 2.062 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.83 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -1.149 . . . . 0.0 109.604 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.45 89.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.814 -1.179 . . . . 0.0 108.697 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.476 ' CG ' HE22 ' B' ' 110' ' ' GLN . 71.1 tp60 -60.7 -40.88 93.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.453 -0.779 . . . . 0.0 109.325 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 3.8 tp-100 -60.26 -42.16 94.74 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -59.98 -40.95 90.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.044 -1.035 . . . . 0.0 109.364 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.57 -42.49 96.74 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.55 -41.77 99.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.79 -42.11 98.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 0.0 109.149 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 104' ' ' LEU . 44.0 tp -59.92 -43.87 94.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.31 -0.869 . . . . 0.0 109.022 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 55.3 t0 -60.0 -45.45 92.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.817 . . . . 0.0 109.842 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.07 -39.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.762 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.096 -1.003 . . . . 0.0 108.538 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 63.6 tttm -60.33 -40.72 91.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.645 -0.659 . . . . 0.0 109.703 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.2 mpt_? -60.01 -41.24 91.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.24 -0.912 . . . . 0.0 109.492 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.92 -39.93 87.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.887 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.97 -49.41 77.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.0 109.826 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 10.5 mp0 -63.49 -40.42 97.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.67 -1.269 . . . . 0.0 109.66 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 HD13 ' B' ' 28' ' ' LEU . 27.5 tp -60.98 -41.65 96.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 109.682 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.12 -39.98 88.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.11 -40.55 90.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.121 -0.987 . . . . 0.0 109.642 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 98.0 mt -62.03 -40.42 95.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.037 -1.039 . . . . 0.0 109.535 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -63.55 -40.06 96.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.715 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.96 -39.98 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 109.232 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.0 -47.67 84.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.342 -0.849 . . . . 0.0 109.977 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.83 73.67 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.06 75.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.055 -1.262 . . . . 0.0 109.898 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.63 -40.04 90.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 0.0 109.683 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.06 -41.04 91.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.215 -0.928 . . . . 0.0 110.105 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.92 -40.11 94.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.064 -1.023 . . . . 0.0 110.008 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.78 95.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.2 p -61.86 -40.06 94.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 108.618 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 44.9 mtt-85 -67.78 -39.92 84.03 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.46 -40.85 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.52 -0.737 . . . . 0.0 109.16 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 40' ' ' THR . 41.7 p -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 109.237 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.99 93.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 108.53 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.18 -39.93 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -39.91 87.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.77 -41.89 98.29 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.841 -1.162 . . . . 0.0 108.564 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 44.9 m-85 -64.82 -40.05 94.58 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.506 -0.747 . . . . 0.0 109.533 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.581 -1.325 . . . . 0.0 109.267 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.02 -40.2 88.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.499 -1.376 . . . . 0.0 108.014 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.32 -39.73 91.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.466 -0.771 . . . . 0.0 109.068 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' C' ' 55' ' ' LEU . 2.3 tm0? -57.08 -40.01 76.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.011 -1.056 . . . . 0.0 108.349 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.73 77.83 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.23 -0.919 . . . . 0.0 108.654 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.97 -39.9 87.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.4 HD12 ' NE2' ' B' ' 52' ' ' GLN . 81.8 mt -71.31 116.45 11.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.922 -1.111 . . . . 0.0 108.761 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.528 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 33.2 m120 -133.42 -58.99 0.88 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.716 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.704 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.12 116.54 4.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.052 -1.03 . . . . 0.0 110.478 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.646 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 78.2 m95 -100.37 122.05 42.51 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.413 -0.805 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.08 26.77 72.49 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.971 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.48 23.38 0.16 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.581 -1.541 . . . . 0.0 109.594 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.78 105.92 1.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.817 -1.177 . . . . 0.0 110.677 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -104.57 11.83 33.8 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.187 -0.945 . . . . 0.0 109.372 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -131.78 23.63 4.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -149.92 152.69 35.42 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 t -102.72 57.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.15 -0.969 . . . . 0.0 108.854 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.18 158.28 42.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.391 -0.818 . . . . 0.0 109.849 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -126.14 133.3 51.64 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 68' ' ' THR . 7.4 t -90.46 115.47 27.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.585 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 69' ' ' THR . 8.9 t -114.22 121.62 44.28 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 98.6 t -121.99 83.97 44.57 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.584 -0.698 . . . . 0.0 109.205 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.44 62.95 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.616 2.211 . . . . 0.0 111.572 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 26.1 t90 -70.0 130.64 89.68 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.522 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.506 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 82.8 Cg_exo -41.65 148.41 0.32 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.25 1.3 . . . . 0.0 110.518 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 20.7 t-20 -130.95 -45.51 1.03 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.221 -0.925 . . . . 0.0 109.356 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.5 123.42 34.17 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.5 t -81.72 106.56 13.76 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.9 mt -81.2 134.75 35.67 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.751 0.786 . . . . 0.0 109.995 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 78' ' ' THR . 6.4 t -91.81 115.16 64.05 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -90.17 -48.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.368 1.379 . . . . 0.0 113.687 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -122.63 -43.71 2.26 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.65 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.94 -49.87 75.97 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.247 -1.533 . . . . 0.0 112.478 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.65 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 58.4 t30 -70.07 -42.56 72.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 119.901 -1.749 . . . . 0.0 109.405 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.04 -50.68 72.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 0.0 110.627 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.07 -43.0 99.78 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.3 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 81' ' ' TRP . 68.1 p -69.56 -40.06 77.03 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -67.86 -39.99 83.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.972 -1.08 . . . . 0.0 109.776 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -59.92 -40.88 90.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.919 -1.113 . . . . 0.0 109.057 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.29 -40.88 95.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.006 -1.059 . . . . 0.0 108.794 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.95 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.144 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.54 -39.91 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.342 -0.849 . . . . 0.0 109.616 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -63.72 -40.49 96.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.097 -1.002 . . . . 0.0 109.78 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -59.97 -43.3 95.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.99 -40.0 85.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.256 -0.903 . . . . 0.0 109.384 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.92 -40.73 94.29 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.935 . . . . 0.0 110.863 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -68.15 -39.99 82.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.802 -1.186 . . . . 0.0 109.207 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.91 -42.69 97.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.179 -0.95 . . . . 0.0 109.534 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -44.95 94.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.935 -1.103 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.62 -41.58 99.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 0.0 109.379 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -45.59 89.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.071 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.37 -46.22 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.389 -0.819 . . . . 0.0 109.464 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -60.06 -41.96 93.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.257 -0.902 . . . . 0.0 109.615 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.88 84.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.91 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.01 -45.25 93.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.848 . . . . 0.0 109.203 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.449 HD23 HD11 ' A' ' 18' ' ' LEU . 87.9 mt -60.56 -43.57 97.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.235 -0.916 . . . . 0.0 109.511 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.94 -45.24 93.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 108.984 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -40.61 97.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.458 -0.776 . . . . 0.0 109.753 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.87 95.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.342 -0.849 . . . . 0.0 109.224 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.14 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 109.476 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.478 ' CG2' ' NZ ' ' A' ' 113' ' ' LYS . 97.9 mt -69.79 -42.87 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.208 -0.933 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 57.0 tt0 -68.42 -39.97 81.39 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.136 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -60.04 -47.16 87.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.807 . . . . 0.0 109.359 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.18 -41.34 98.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.083 -1.01 . . . . 0.0 109.362 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.478 ' NZ ' ' CG2' ' A' ' 109' ' ' ILE . 56.0 mttp -62.48 -42.96 99.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.083 -1.011 . . . . 0.0 109.839 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -61.34 -45.42 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.898 -1.126 . . . . 0.0 109.615 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.99 -40.04 79.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 0.0 109.005 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.02 -46.25 90.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.335 -0.853 . . . . 0.0 108.91 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.2 -40.01 88.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.233 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.16 -42.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.98 -40.01 91.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.865 . . . . 0.0 109.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.17 -39.97 88.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 109.523 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.93 -48.55 81.22 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -116.1 58.3 0.75 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.556 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.1 mt-30 -70.02 144.14 52.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.933 . . . . 0.0 109.341 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.64 57.81 4.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 108.944 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -65.36 -39.99 93.03 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.027 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.06 -45.38 93.07 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.348 -0.845 . . . . 0.0 109.511 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' B' ' 5' ' ' THR . 63.3 tp -60.31 -44.6 95.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.106 -0.997 . . . . 0.0 108.645 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.28 -39.96 88.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.429 -0.794 . . . . 0.0 109.777 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.06 87.7 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.114 -0.991 . . . . 0.0 108.413 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.58 56.74 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -49.01 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.206 -1.173 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.49 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.909 -1.12 . . . . 0.0 108.76 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLN . . . . . 0.42 ' CG ' HE22 ' C' ' 110' ' ' GLN . 71.0 tp60 -60.58 -40.93 93.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.344 -0.848 . . . . 0.0 109.263 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 3.8 tp-100 -60.09 -42.09 93.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 109.952 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.01 -40.94 91.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.976 -1.078 . . . . 0.0 109.466 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.301 -0.874 . . . . 0.0 109.24 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.27 -41.89 98.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.187 -0.945 . . . . 0.0 109.51 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.86 -42.04 98.57 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.179 -0.95 . . . . 0.0 109.194 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.444 HD11 HD23 ' B' ' 104' ' ' LEU . 43.4 tp -59.93 -43.67 94.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.302 -0.874 . . . . 0.0 109.04 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.503 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.98 -45.7 91.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.0 109.946 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.95 -39.96 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.168 -0.958 . . . . 0.0 109.71 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.49 83.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.047 -1.033 . . . . 0.0 108.542 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 63.9 tttm -60.34 -40.77 91.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.589 -0.694 . . . . 0.0 109.79 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.503 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.2 mpt_? -59.99 -41.14 91.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.516 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.138 -0.977 . . . . 0.0 109.0 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -49.29 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.803 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 10.5 mp0 -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.696 -1.252 . . . . 0.0 109.682 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.09 -41.69 97.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.653 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.412 HD13 HD23 ' A' ' 27' ' ' LEU . 26.1 mt -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.311 -0.868 . . . . 0.0 109.479 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -40.67 90.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.179 -0.951 . . . . 0.0 109.67 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.8 mt -61.93 -40.65 96.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.051 -1.03 . . . . 0.0 109.584 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.3 p -63.5 -39.98 95.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.655 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.98 -40.03 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.38 -0.825 . . . . 0.0 109.279 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -59.99 -47.41 85.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.438 -0.788 . . . . 0.0 110.111 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.64 -48.72 75.06 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.004 -1.291 . . . . 0.0 109.831 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -60.76 -40.0 90.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.116 -0.99 . . . . 0.0 109.661 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.95 -41.3 91.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.123 -0.986 . . . . 0.0 110.023 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.82 -40.11 94.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.032 -1.043 . . . . 0.0 109.977 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.87 95.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 109.195 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.8 p -61.88 -39.97 93.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.115 -0.99 . . . . 0.0 108.717 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.545 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 44.6 mtt-85 -67.69 -40.06 84.38 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.52 -40.69 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.433 -0.792 . . . . 0.0 109.184 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 42.4 p -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.043 . . . . 0.0 109.301 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.0 93.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 108.569 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.2 -39.91 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -40.11 87.95 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.436 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.832 -1.168 . . . . 0.0 108.645 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.1 m-85 -64.67 -40.01 94.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.457 -0.777 . . . . 0.0 109.536 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.639 -1.288 . . . . 0.0 109.205 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.483 -1.386 . . . . 0.0 108.132 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -61.3 -39.98 92.47 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.4 ' NE2' HD12 ' A' ' 55' ' ' LEU . 2.3 tm0? -56.95 -40.0 75.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 108.406 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.68 77.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 108.651 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.02 -39.98 87.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.412 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.42 HD12 ' NE2' ' C' ' 52' ' ' GLN . 82.1 mt -71.29 116.56 11.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.908 -1.12 . . . . 0.0 108.692 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 33.2 m120 -133.34 -59.25 0.87 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.32 -0.862 . . . . 0.0 110.746 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.646 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.86 116.31 4.38 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.077 -1.014 . . . . 0.0 110.356 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.716 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 78.2 m95 -100.2 122.35 42.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.492 -0.755 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 65.86 26.69 72.27 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.079 -1.058 . . . . 0.0 111.047 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.465 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -76.75 23.69 0.16 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.666 -1.491 . . . . 0.0 109.574 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.13 105.04 1.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.82 -1.175 . . . . 0.0 110.676 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -103.67 11.69 35.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -131.48 23.57 4.75 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -149.7 152.83 35.98 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -102.72 57.76 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.101 -0.999 . . . . 0.0 108.779 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.19 158.4 42.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.802 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.25 133.14 51.55 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 68' ' ' THR . 7.0 t -90.48 115.32 27.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.764 -1.21 . . . . 0.0 109.62 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 69' ' ' THR . 9.0 t -113.97 121.73 44.78 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.472 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 97.9 t -122.21 84.08 46.01 Favored Pre-proline 0 N--CA 1.494 1.737 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -84.92 63.31 6.28 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 122.622 2.215 . . . . 0.0 111.527 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 25.9 t90 -70.0 130.48 89.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.405 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.501 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.6 Cg_exo -41.55 148.37 0.3 Allowed 'Trans proline' 0 N--CA 1.487 1.116 0 C-N-CA 121.27 1.313 . . . . 0.0 110.506 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.6 t-20 -130.83 -45.54 1.05 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.286 -0.884 . . . . 0.0 109.397 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.44 123.24 33.99 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -81.71 107.0 14.09 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.69 134.82 35.51 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.752 0.787 . . . . 0.0 110.0 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.58 HG23 ' O ' ' B' ' 78' ' ' THR . 6.7 t -91.69 115.04 63.78 Favored Pre-proline 0 C--N 1.3 -1.583 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -89.93 -48.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.387 1.391 . . . . 0.0 113.795 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.65 -43.72 2.26 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.9 p90 -59.99 -49.83 76.15 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 112.604 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.7 t30 -69.97 -42.44 73.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 119.951 -1.718 . . . . 0.0 109.35 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.99 -50.9 71.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 0.0 110.685 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.75 -43.07 99.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.87 -1.143 . . . . 0.0 109.341 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.431 HG23 ' O ' ' B' ' 81' ' ' TRP . 72.4 p -69.77 -40.06 76.3 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.347 -0.846 . . . . 0.0 109.596 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -67.68 -39.95 84.45 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.09 -40.81 90.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.892 -1.13 . . . . 0.0 109.077 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.47 -40.68 95.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.018 -1.051 . . . . 0.0 108.702 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.516 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.322 -0.861 . . . . 0.0 109.115 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.214 -0.929 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.4 -40.6 97.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.87 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -60.04 -43.07 95.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.393 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.97 -40.05 85.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.349 -0.844 . . . . 0.0 109.384 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -61.04 -40.62 94.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.178 -0.951 . . . . 0.0 110.796 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.746 -1.221 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.77 -42.85 97.7 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.127 -0.983 . . . . 0.0 109.467 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -44.77 94.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.988 -1.07 . . . . 0.0 109.688 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.71 -41.05 98.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.142 -0.974 . . . . 0.0 109.343 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -45.56 88.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.161 -0.962 . . . . 0.0 109.042 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.19 -46.35 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.449 -0.782 . . . . 0.0 109.514 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -60.06 -41.83 93.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -0.937 . . . . 0.0 109.496 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.319 -0.863 . . . . 0.0 108.908 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.96 -45.48 92.54 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.321 -0.862 . . . . 0.0 109.051 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.444 HD23 HD11 ' B' ' 18' ' ' LEU . 87.6 mt -60.34 -43.64 96.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.0 -45.12 93.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 109.015 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.82 -40.56 97.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.41 -0.806 . . . . 0.0 109.802 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.85 95.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.306 -0.871 . . . . 0.0 109.23 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -60.95 -43.11 99.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.484 ' CG2' ' NZ ' ' B' ' 113' ' ' LYS . 97.4 mt -69.75 -42.74 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.27 -0.893 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.476 HE22 ' CG ' ' A' ' 12' ' ' GLN . 56.7 tt0 -68.67 -39.95 80.39 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.403 -0.81 . . . . 0.0 109.065 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.01 -46.41 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.409 -0.807 . . . . 0.0 109.396 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.21 -40.78 98.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.161 -0.962 . . . . 0.0 109.324 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' LYS . . . . . 0.484 ' NZ ' ' CG2' ' B' ' 109' ' ' ILE . 55.6 mttp -62.8 -43.33 99.09 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.846 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -60.74 -45.83 92.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.84 -39.94 79.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.025 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.0 -45.72 91.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.343 -0.848 . . . . 0.0 108.91 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.72 -40.06 90.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.929 . . . . 0.0 109.215 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.01 -42.42 94.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.94 -40.01 91.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.16 -40.01 88.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 109.479 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.93 -48.38 81.94 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -116.18 58.32 0.75 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.4 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.5 t . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.659 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 1' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.2 mt-30 -70.34 144.33 51.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.282 -0.886 . . . . 0.0 109.368 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -88.62 57.94 4.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.05 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.61 -39.96 92.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.477 -0.764 . . . . 0.0 109.126 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.2 t -60.16 -45.49 92.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.298 -0.876 . . . . 0.0 109.452 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' C' ' 5' ' ' THR . 63.1 tp -60.03 -44.78 94.4 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.078 -1.014 . . . . 0.0 108.706 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.2 -39.99 88.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.366 -0.834 . . . . 0.0 109.835 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.02 87.8 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 108.304 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.88 -45.63 56.66 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 108.832 -1.707 . . . . 0.0 108.832 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.74 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.258 -1.143 . . . . 0.0 109.664 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.57 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.99 -1.069 . . . . 0.0 108.777 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.421 ' CG ' HE22 ' A' ' 110' ' ' GLN . 70.9 tp60 -60.64 -40.79 93.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.476 -0.765 . . . . 0.0 109.376 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 3.8 tp-100 -60.22 -41.91 94.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.275 -0.891 . . . . 0.0 109.928 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.39 -40.83 92.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.044 -1.035 . . . . 0.0 109.373 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.47 -42.89 97.13 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.213 -0.929 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.12 -42.24 99.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 109.512 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -42.23 98.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.32 -0.862 . . . . 0.0 109.169 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.425 HD11 HD23 ' C' ' 104' ' ' LEU . 42.1 tp -59.99 -43.65 95.02 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.4 -0.813 . . . . 0.0 108.942 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ASP . . . . . 0.492 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.8 t0 -60.05 -45.64 92.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.392 -0.817 . . . . 0.0 109.896 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.96 -40.07 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.085 -1.01 . . . . 0.0 109.682 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.99 -40.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.065 -1.022 . . . . 0.0 108.566 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.464 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 63.7 tttm -60.46 -40.71 92.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.576 -0.703 . . . . 0.0 109.692 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.492 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.2 mpt_? -59.96 -41.16 91.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.218 -0.926 . . . . 0.0 109.503 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.135 -0.978 . . . . 0.0 108.948 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.06 -49.31 78.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 10.3 mp0 -63.52 -40.16 96.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.684 -1.26 . . . . 0.0 109.703 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.1 -41.76 97.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.0 109.646 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.96 -40.0 87.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 109.505 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.14 -40.49 90.01 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.147 -0.971 . . . . 0.0 109.672 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 98.1 mt -62.22 -40.25 95.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.046 -1.034 . . . . 0.0 109.586 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -63.8 -40.04 95.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.79 -40.05 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.21 -0.931 . . . . 0.0 109.279 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.96 -47.51 85.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 0.0 110.044 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.57 -48.83 73.88 Favored Glycine 0 N--CA 1.486 2.016 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.95 75.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.036 -1.273 . . . . 0.0 109.837 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.82 -40.05 91.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.091 -1.006 . . . . 0.0 109.64 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.01 -41.24 91.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.197 -0.939 . . . . 0.0 109.991 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -40.24 94.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.998 -1.064 . . . . 0.0 110.027 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -59.98 -42.5 94.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.087 -1.008 . . . . 0.0 109.279 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' C' ' 43' ' ' THR . 64.8 p -62.25 -39.97 94.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.111 -0.993 . . . . 0.0 108.651 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.521 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 44.6 mtt-85 -67.66 -39.99 84.5 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.28 -40.97 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.373 -0.829 . . . . 0.0 109.18 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' C' ' 40' ' ' THR . 43.5 p -60.01 -39.94 87.52 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.079 -1.013 . . . . 0.0 109.238 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.99 93.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.935 -1.103 . . . . 0.0 108.447 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.21 -39.91 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.179 -0.951 . . . . 0.0 109.454 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.55 -41.89 98.03 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.922 -1.111 . . . . 0.0 108.648 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -65.03 -39.99 94.18 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.519 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.557 -1.339 . . . . 0.0 109.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.01 -40.09 88.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.527 -1.358 . . . . 0.0 108.064 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -61.34 -39.9 92.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.508 -0.745 . . . . 0.0 109.159 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.42 ' NE2' HD12 ' B' ' 55' ' ' LEU . 2.2 tm0? -57.05 -40.1 76.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.901 -1.124 . . . . 0.0 108.364 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.64 77.6 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.312 -0.868 . . . . 0.0 108.699 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.05 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' LEU . . . . . 0.405 HD12 ' NE2' ' A' ' 52' ' ' GLN . 82.5 mt -71.26 116.5 11.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.986 -1.071 . . . . 0.0 108.677 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 33.4 m120 -133.54 -58.86 0.87 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.315 -0.866 . . . . 0.0 110.684 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.716 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.95 116.33 4.36 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.155 -0.966 . . . . 0.0 110.403 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.704 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 78.0 m95 -100.27 121.78 42.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.445 -0.785 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 66.32 26.84 72.71 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.981 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.66 23.66 0.16 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.66 -1.494 . . . . 0.0 109.653 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.01 105.85 1.57 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.794 -1.191 . . . . 0.0 110.621 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -104.41 11.69 34.28 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.154 -0.966 . . . . 0.0 109.444 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -131.5 23.68 4.75 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -149.97 152.7 35.38 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.79 58.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.027 -1.046 . . . . 0.0 108.835 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.31 158.4 42.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.461 -0.774 . . . . 0.0 109.8 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.1 133.11 51.75 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.527 HG23 ' O ' ' C' ' 68' ' ' THR . 7.1 t -90.35 115.16 27.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.834 -1.166 . . . . 0.0 109.6 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.554 HG23 ' O ' ' C' ' 69' ' ' THR . 9.0 t -114.2 121.63 44.31 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.485 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 98.2 t -122.04 84.15 45.0 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.68 63.05 6.45 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.629 2.219 . . . . 0.0 111.507 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.2 t90 -70.04 130.48 89.76 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.433 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.503 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.9 Cg_exo -41.35 148.33 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.265 1.31 . . . . 0.0 110.489 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 20.3 t-20 -130.92 -45.31 1.04 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.229 -0.919 . . . . 0.0 109.368 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 123.39 34.18 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 38.5 t -81.6 106.5 13.6 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.31 134.9 35.65 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.767 0.794 . . . . 0.0 109.895 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.583 HG23 ' O ' ' C' ' 78' ' ' THR . 6.8 t -91.84 115.32 64.36 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -90.23 -48.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.358 1.372 . . . . 0.0 113.805 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.55 -43.73 2.27 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.93 -49.78 76.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.388 -1.445 . . . . 0.0 112.552 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 57.7 t30 -70.08 -42.64 72.51 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 119.888 -1.757 . . . . 0.0 109.384 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -60.11 -50.53 73.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.334 -0.854 . . . . 0.0 110.639 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.87 -43.24 99.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.181 . . . . 0.0 109.342 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.427 HG23 ' O ' ' C' ' 81' ' ' TRP . 68.6 p -69.66 -39.99 76.72 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 109.464 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -67.82 -40.02 83.84 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.944 -1.097 . . . . 0.0 109.727 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -59.96 -41.02 91.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.798 -1.189 . . . . 0.0 109.088 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.14 -40.96 95.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.036 -1.04 . . . . 0.0 108.782 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.5 t90 -59.95 -50.0 75.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.373 -0.829 . . . . 0.0 109.122 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -40.1 95.01 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.548 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.37 -40.54 97.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.912 . . . . 0.0 109.911 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -59.96 -43.44 95.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.971 -1.081 . . . . 0.0 109.299 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -40.0 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.81 -40.58 93.25 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.0 110.826 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.57 -39.97 80.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.698 -1.251 . . . . 0.0 109.279 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.72 -42.67 97.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.215 -0.928 . . . . 0.0 109.501 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.17 -45.09 94.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.606 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.46 -41.49 98.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.16 -0.962 . . . . 0.0 109.37 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -45.6 89.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.164 -0.96 . . . . 0.0 109.075 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -46.34 94.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.455 -0.778 . . . . 0.0 109.528 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 35.9 p -60.04 -41.89 93.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.525 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.05 83.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.863 . . . . 0.0 108.961 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.01 -45.42 92.82 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 109.087 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.425 HD23 HD11 ' C' ' 18' ' ' LEU . 87.6 mt -60.42 -43.5 96.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 109.572 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.05 -45.15 93.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.194 -0.941 . . . . 0.0 108.896 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.71 -40.4 97.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.462 -0.774 . . . . 0.0 109.762 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.7 94.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.264 -0.897 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.12 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.274 -0.891 . . . . 0.0 109.461 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 109' ' ' ILE . . . . . 0.496 HG22 ' HZ2' ' C' ' 113' ' ' LYS . 97.4 mt -69.8 -43.12 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.253 -0.904 . . . . 0.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 110' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 56.9 tt0 -68.22 -40.1 82.18 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.446 -0.784 . . . . 0.0 109.056 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -59.91 -47.08 87.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -0.828 . . . . 0.0 109.351 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.38 -41.52 98.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.04 -1.037 . . . . 0.0 109.392 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 113' ' ' LYS . . . . . 0.496 ' HZ2' HG22 ' C' ' 109' ' ' ILE . 55.4 mttp -62.13 -43.35 99.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.0 109.913 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -60.81 -45.83 92.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.876 -1.14 . . . . 0.0 109.615 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.8 -39.94 79.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.014 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.03 -45.95 91.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 108.892 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.52 -40.03 89.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.287 -0.883 . . . . 0.0 109.153 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.05 -42.6 94.83 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.76 -40.06 91.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 109.411 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.02 -39.96 87.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -0.808 . . . . 0.0 109.714 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.87 -48.33 82.14 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -116.34 58.24 0.75 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.608 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.8 mt-30 -70.1 144.29 52.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.0 109.572 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.52 59.37 5.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.007 . . . . 0.0 109.135 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.82 -39.95 91.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.043 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.432 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.08 -41.75 93.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.168 -0.957 . . . . 0.0 109.469 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.98 -45.55 92.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.124 -0.985 . . . . 0.0 108.357 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.5 mt -60.06 -39.46 86.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.685 -0.634 . . . . 0.0 109.379 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.58 88.32 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.79 -45.9 71.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.53 -46.31 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -1.075 . . . . 0.0 109.904 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -42.43 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.997 -1.065 . . . . 0.0 108.882 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.47 -39.87 94.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 109.569 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -59.95 -43.07 95.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.855 . . . . 0.0 109.306 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -61.61 -40.83 96.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.998 -1.064 . . . . 0.0 109.461 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.01 -42.54 94.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.385 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.76 -40.58 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.881 . . . . 0.0 109.704 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.26 -40.66 98.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.158 -0.963 . . . . 0.0 109.196 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.18 -43.26 96.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.254 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.02 -47.46 85.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.262 -0.899 . . . . 0.0 109.932 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.01 -40.09 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 0.0 109.212 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -41.71 87.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.78 -40.01 94.56 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 31.8 mmt180 -60.19 -40.63 90.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.178 -0.951 . . . . 0.0 109.149 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -60.05 -48.7 80.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.26 -42.02 99.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.928 -1.107 . . . . 0.0 109.453 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.64 -40.78 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.116 -0.99 . . . . 0.0 109.125 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.0 -40.15 88.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.307 -0.87 . . . . 0.0 109.549 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.2 mtt-85 -60.96 -40.26 92.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.8 mt -63.22 -39.97 96.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.0 109.425 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.3 p -65.95 -39.96 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.6 t -60.79 -41.02 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.92 -41.58 92.05 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.351 -0.843 . . . . 0.0 109.766 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.0 -45.85 93.28 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -59.97 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.321 . . . . 0.0 108.864 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -61.88 -40.01 93.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.118 -0.989 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.01 -40.57 89.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.51 -40.01 89.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.128 -0.983 . . . . 0.0 108.876 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.68 89.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.207 -0.933 . . . . 0.0 109.535 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 p -60.51 -42.63 96.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.062 -1.024 . . . . 0.0 109.47 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.562 HH22 ' CG ' ' B' ' 82' ' ' ASN . 39.6 mtt-85 -64.09 -39.97 95.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.96 -42.96 96.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.77 -0.581 . . . . 0.0 109.604 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 p -60.06 -40.27 88.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.0 109.781 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.7 94.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.07 -1.019 . . . . 0.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -60.07 -39.31 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.704 -0.622 . . . . 0.0 109.538 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.5 -40.06 85.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.114 -0.991 . . . . 0.0 109.079 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -64.73 -40.67 95.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.783 -1.198 . . . . 0.0 109.122 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.597 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 61.5 m-85 -70.0 -38.53 76.0 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.208 -0.932 . . . . 0.0 109.168 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.908 -1.12 . . . . 0.0 109.138 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -60.09 -40.12 88.48 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.838 -1.164 . . . . 0.0 108.325 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.444 -0.785 . . . . 0.0 109.809 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.597 ' NE2' ' O ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -59.13 -39.79 83.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.661 -1.274 . . . . 0.0 108.807 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.39 -39.34 83.07 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -39.4 85.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 108.917 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.72 117.11 9.19 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 29.9 m120 -132.8 -64.16 0.76 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.446 -0.784 . . . . 0.0 110.312 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.788 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.56 117.05 3.98 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.124 -0.985 . . . . 0.0 109.838 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.798 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 90.0 m95 -99.61 128.74 45.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.326 -0.859 . . . . 0.0 110.095 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.39 20.47 65.53 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.491 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.45 23.6 0.11 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.617 -1.52 . . . . 0.0 109.011 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.69 106.77 2.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.658 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CB ' HE22 ' B' ' 64' ' ' GLN . 40.0 m-85 -120.0 11.68 11.79 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 23.6 ttt180 -138.27 22.13 2.77 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.548 HE22 ' CB ' ' C' ' 62' ' ' PHE . 29.9 mp0 -149.23 152.09 35.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.987 -1.071 . . . . 0.0 108.445 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.87 58.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.48 157.54 43.14 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.582 -0.699 . . . . 0.0 109.391 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -129.06 132.46 47.45 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -90.81 113.09 25.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.823 -1.173 . . . . 0.0 109.683 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 69' ' ' THR . 9.9 t -113.51 122.44 47.28 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 79.8 t -129.49 83.0 66.29 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.467 -0.77 . . . . 0.0 109.946 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.38 62.6 5.76 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.71 2.273 . . . . 0.0 111.165 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.3 t90 -68.81 132.16 90.82 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 76.9 Cg_exo -38.27 149.76 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.652 1.568 . . . . 0.0 111.184 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.609 ' C ' HD21 ' A' ' 74' ' ' ASN . 0.2 OUTLIER -129.05 -57.13 1.17 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.346 -0.846 . . . . 0.0 109.148 -178.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 124.04 34.7 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.37 107.93 15.41 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.81 136.26 34.7 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.533 0.682 . . . . 0.0 110.325 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.51 110.36 50.51 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.773 -0.579 . . . . 0.0 109.734 179.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -93.66 -47.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.493 1.462 . . . . 0.0 113.542 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -121.71 -47.73 2.19 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.429 -0.794 . . . . 0.0 112.667 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.711 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.4 p90 -60.06 -58.16 9.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.455 -1.403 . . . . 0.0 112.558 -176.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.8 OUTLIER -79.69 -39.86 30.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.225 -1.547 . . . . 0.0 109.644 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.94 -48.69 80.67 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.186 -0.947 . . . . 0.0 109.819 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.87 -44.67 96.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.035 -1.041 . . . . 0.0 109.745 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 81' ' ' TRP . 46.8 p -61.91 -40.01 93.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.087 -1.008 . . . . 0.0 109.721 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.05 -40.0 91.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.071 . . . . 0.0 109.53 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.902 -1.124 . . . . 0.0 108.666 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HG2' ' HZ2' ' A' ' 92' ' ' LYS . 87.2 tt0 -60.11 -41.77 93.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.219 -0.925 . . . . 0.0 108.652 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.2 t90 -59.93 -49.8 76.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.607 -0.683 . . . . 0.0 109.445 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.0 95.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.16 -0.963 . . . . 0.0 109.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -41.85 93.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.191 -0.943 . . . . 0.0 110.605 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.485 ' HZ2' ' HG2' ' A' ' 88' ' ' GLU . 53.3 mttp -60.08 -42.14 93.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.941 -1.099 . . . . 0.0 109.52 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.15 -40.41 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.159 -0.963 . . . . 0.0 108.713 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.98 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.957 -1.089 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -40.06 87.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.113 -0.992 . . . . 0.0 109.128 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.11 -47.62 85.15 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.305 -0.872 . . . . 0.0 109.439 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.01 -45.72 91.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.745 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.498 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.05 -43.4 95.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.13 -46.01 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.05 -1.031 . . . . 0.0 109.543 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.4 p -62.52 -41.1 98.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.08 -1.013 . . . . 0.0 109.699 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.78 76.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.185 -0.947 . . . . 0.0 109.783 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.99 -42.62 98.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.204 -0.935 . . . . 0.0 109.753 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.97 -44.46 94.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 0.0 109.049 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.0 -47.72 84.66 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.114 -0.991 . . . . 0.0 108.762 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.47 -40.17 96.4 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.424 -0.798 . . . . 0.0 109.519 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.36 96.42 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.088 -1.008 . . . . 0.0 109.208 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -59.97 -49.0 79.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.2 -0.937 . . . . 0.0 109.621 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.97 -49.63 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.368 -0.832 . . . . 0.0 109.207 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.67 -40.07 94.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.02 -46.19 90.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 0.0 109.661 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.19 -40.91 94.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -61.87 -40.59 95.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.0 110.0 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.03 -43.37 98.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.011 -1.055 . . . . 0.0 109.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.72 -39.99 88.22 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.0 108.674 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.98 -49.65 76.85 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.62 -0.675 . . . . 0.0 109.533 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.2 -39.94 88.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.028 . . . . 0.0 109.478 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.45 -41.15 93.49 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.369 -0.832 . . . . 0.0 109.785 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -62.34 -41.37 98.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.104 -0.997 . . . . 0.0 109.933 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.51 -38.38 84.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.7 61.78 1.4 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.492 -0.755 . . . . 0.0 109.39 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.851 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 96.8 mt-30 -70.14 144.33 52.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.62 59.56 5.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.065 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.8 -40.01 91.48 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.469 -0.769 . . . . 0.0 109.138 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.433 ' H ' HG22 ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.02 -42.02 93.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.277 -0.89 . . . . 0.0 109.506 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.0 -45.21 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.15 -0.969 . . . . 0.0 108.462 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.0 -39.9 87.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.693 -0.629 . . . . 0.0 109.399 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.72 87.81 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.68 -45.92 72.39 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.6 -46.4 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -1.057 . . . . 0.0 109.886 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -42.41 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.076 -1.015 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.55 -39.77 94.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 109.555 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.851 . . . . 0.0 109.316 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -61.78 -40.73 96.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.445 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.06 -42.46 94.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.211 -0.93 . . . . 0.0 109.416 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -63.93 -40.4 96.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.314 -0.866 . . . . 0.0 109.634 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.34 -40.77 98.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.153 -0.967 . . . . 0.0 109.187 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.33 -0.856 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -47.35 86.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.295 -0.878 . . . . 0.0 109.879 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.049 -1.032 . . . . 0.0 109.296 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -41.96 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.53 -40.1 94.99 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.487 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 31.9 mmt180 -60.17 -40.66 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.106 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.244 -0.91 . . . . 0.0 109.205 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -59.98 -48.19 82.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 109.671 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.88 -41.55 97.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.071 -1.018 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.07 -40.45 95.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.225 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.07 -40.51 89.74 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.333 -0.854 . . . . 0.0 109.461 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.452 ' HG2' HH11 ' B' ' 29' ' ' ARG . 43.0 mtt-85 -60.56 -40.73 92.69 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.109 -0.994 . . . . 0.0 109.571 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.77 -40.22 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.163 -0.961 . . . . 0.0 109.422 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -65.88 -39.99 91.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.962 . . . . 0.0 109.55 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.67 -41.12 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.235 -0.916 . . . . 0.0 109.099 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.274 -0.891 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.3 -45.76 93.8 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.318 . . . . 0.0 108.842 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 109.23 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -40.96 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 0.0 110.158 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.07 -40.04 88.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.142 -0.974 . . . . 0.0 108.94 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.01 -40.64 89.98 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.582 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.7 p -60.46 -42.6 96.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.053 -1.029 . . . . 0.0 109.514 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.535 HH22 ' CG ' ' C' ' 82' ' ' ASN . 40.3 mtt-85 -64.31 -40.04 95.13 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -61.55 -43.47 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 23.6 p -59.97 -40.09 87.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.066 -1.021 . . . . 0.0 109.76 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.985 -1.072 . . . . 0.0 108.402 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.13 -39.29 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.701 -0.624 . . . . 0.0 109.527 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.139 -0.976 . . . . 0.0 109.111 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.39 -41.08 96.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.717 -1.24 . . . . 0.0 109.028 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.59 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 62.1 m-85 -70.02 -38.37 75.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.18 -0.95 . . . . 0.0 109.201 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.01 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.742 -1.224 . . . . 0.0 109.066 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.1 -40.06 88.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.812 -1.18 . . . . 0.0 108.268 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.477 -0.764 . . . . 0.0 109.808 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' B' ' 48' ' ' TYR . 0.2 OUTLIER -59.11 -40.04 84.14 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.566 -1.334 . . . . 0.0 108.79 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.43 81.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.809 -1.182 . . . . 0.0 107.811 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -39.43 85.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 108.885 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.71 117.16 9.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.977 -1.077 . . . . 0.0 108.216 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 30.4 m120 -132.74 -63.96 0.76 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.387 -0.821 . . . . 0.0 110.37 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.82 116.97 3.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.099 -1.001 . . . . 0.0 109.815 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.826 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.6 m95 -99.55 128.61 45.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 64.47 20.55 65.78 Favored Glycine 0 N--CA 1.491 2.333 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.51 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.49 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.47 23.7 0.11 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.645 -1.503 . . . . 0.0 108.987 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.9 106.67 2.26 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.559 ' CB ' HE22 ' C' ' 64' ' ' GLN . 39.2 m-85 -119.91 11.54 11.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 24.0 ttt180 -138.05 22.37 2.82 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.581 HE22 ' CB ' ' A' ' 62' ' ' PHE . 29.9 mp0 -149.67 152.11 34.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.935 -1.103 . . . . 0.0 108.332 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.89 58.15 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.059 -1.026 . . . . 0.0 108.251 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.67 157.43 42.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.43 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -128.84 132.53 47.79 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.63 113.08 25.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.784 -1.198 . . . . 0.0 109.616 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 69' ' ' THR . 9.8 t -113.65 122.39 47.02 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.526 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 78.8 t -129.6 83.11 65.66 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.5 -0.75 . . . . 0.0 109.903 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -85.44 62.63 5.71 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.787 2.325 . . . . 0.0 111.061 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -68.77 132.22 90.85 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' B' ' 72' ' ' TRP . 78.5 Cg_exo -38.26 149.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.634 1.556 . . . . 0.0 111.248 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.619 ' C ' HD21 ' B' ' 74' ' ' ASN . 0.2 OUTLIER -129.26 -56.99 1.16 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.389 -0.819 . . . . 0.0 109.216 -178.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.76 124.13 34.88 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.4 t -82.34 107.68 15.2 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.9 mt -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.583 0.706 . . . . 0.0 110.286 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -95.3 110.25 49.5 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.768 -0.582 . . . . 0.0 109.733 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -93.69 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.492 1.461 . . . . 0.0 113.504 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -121.69 -47.71 2.19 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.412 -0.805 . . . . 0.0 112.607 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.713 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.1 p90 -60.12 -58.04 10.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.493 -1.379 . . . . 0.0 112.599 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.713 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.8 OUTLIER -79.79 -39.96 29.7 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.155 -1.59 . . . . 0.0 109.655 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.0 -48.73 80.5 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.693 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.65 -44.82 95.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.93 -1.106 . . . . 0.0 109.7 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.463 HG23 ' O ' ' B' ' 81' ' ' TRP . 48.1 p -61.89 -40.03 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.06 -1.025 . . . . 0.0 109.755 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -61.19 -40.0 92.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.965 -1.085 . . . . 0.0 109.523 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.06 -41.14 91.69 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.945 -1.097 . . . . 0.0 108.699 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.442 ' HG2' ' HZ2' ' B' ' 92' ' ' LYS . 87.3 tt0 -60.21 -41.57 93.32 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.501 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 68.7 t90 -60.02 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.511 -0.743 . . . . 0.0 109.328 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -43.03 95.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 0.0 109.825 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -41.77 92.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.193 -0.942 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.442 ' HZ2' ' HG2' ' B' ' 88' ' ' GLU . 53.1 mttp -60.08 -42.3 94.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.921 -1.112 . . . . 0.0 109.479 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.94 -40.54 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.098 -1.001 . . . . 0.0 108.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.05 -49.31 78.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.476 -0.765 . . . . 0.0 109.908 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -60.09 -46.37 89.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.97 -1.081 . . . . 0.0 109.817 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.05 -40.06 87.05 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.081 -1.012 . . . . 0.0 109.157 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.19 -47.25 86.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.452 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.24 -45.71 92.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 109.683 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.458 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.0 -43.83 94.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.0 -45.94 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.062 -1.024 . . . . 0.0 109.635 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 47.8 p -62.7 -40.79 98.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.048 -1.032 . . . . 0.0 109.601 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.82 75.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.92 . . . . 0.0 109.78 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.9 -42.7 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.04 -44.29 94.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 109.078 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.01 -47.42 85.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.146 -0.971 . . . . 0.0 108.806 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.88 -40.23 96.04 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.388 -0.82 . . . . 0.0 109.49 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.4 96.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 0.0 109.213 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.97 -49.27 78.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.487 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.98 -49.31 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.203 -0.936 . . . . 0.0 109.176 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.81 -40.17 94.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.082 -1.011 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -60.0 -45.25 93.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 0.0 109.698 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.34 -40.02 89.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 109.549 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.79 -40.04 96.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.49 -42.81 98.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.0 109.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -67.26 -40.01 86.16 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.221 -0.924 . . . . 0.0 108.598 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.0 -49.41 77.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.653 -0.654 . . . . 0.0 109.493 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -39.97 89.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.123 -0.986 . . . . 0.0 109.46 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.31 -41.0 92.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.824 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.6 mt-30 -62.62 -41.3 98.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 109.958 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.49 -38.11 83.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.244 -0.91 . . . . 0.0 109.398 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.55 -47.68 84.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.61 61.72 1.4 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.565 -0.709 . . . . 0.0 109.321 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.461 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.84 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -70.3 144.32 51.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.0 109.416 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -88.42 59.28 5.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.17 -0.956 . . . . 0.0 109.158 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.65 -40.01 92.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.46 -0.775 . . . . 0.0 109.036 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -42.13 93.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.275 -0.891 . . . . 0.0 109.484 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.96 -45.32 93.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 108.374 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.611 -0.681 . . . . 0.0 109.433 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.61 88.29 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.61 -46.09 71.65 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.35 -46.43 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -1.095 . . . . 0.0 109.995 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.06 -42.39 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.113 -0.992 . . . . 0.0 108.85 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.46 -39.8 94.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.488 -0.758 . . . . 0.0 109.557 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -59.94 -43.24 95.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.344 -0.848 . . . . 0.0 109.322 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -61.39 -40.82 95.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.026 -1.046 . . . . 0.0 109.431 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.08 -42.13 93.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.486 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.21 -39.94 95.03 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.881 . . . . 0.0 109.643 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.87 -40.66 97.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.166 -0.959 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.14 -43.09 95.96 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.332 -0.855 . . . . 0.0 109.318 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.95 -47.75 84.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.851 . . . . 0.0 109.924 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.98 -40.0 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.212 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -41.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -64.69 -39.96 94.56 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.498 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 31.9 mmt180 -60.37 -40.53 91.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 109.084 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.0 109.26 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -59.99 -48.3 82.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.58 -41.7 98.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.115 -0.991 . . . . 0.0 109.469 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.03 -40.47 95.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.052 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.25 -40.27 89.72 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.564 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.443 ' HG2' HH11 ' C' ' 29' ' ' ARG . 43.1 mtt-85 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.126 -0.984 . . . . 0.0 109.549 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.539 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.9 mt -63.11 -40.02 96.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 109.455 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -66.16 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.536 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.6 -41.05 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.339 -0.85 . . . . 0.0 109.137 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.339 -0.851 . . . . 0.0 109.712 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.83 -45.85 93.05 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 40.1 m -60.03 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.988 -1.301 . . . . 0.0 108.745 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -62.09 -39.98 94.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.183 -0.948 . . . . 0.0 109.213 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.96 -40.99 90.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 110.078 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.09 -40.06 88.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.117 -0.989 . . . . 0.0 108.974 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.65 90.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.489 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.36 -43.09 96.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.03 -1.044 . . . . 0.0 109.41 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.528 HH22 ' CG ' ' A' ' 82' ' ' ASN . 39.5 mtt-85 -63.86 -39.99 95.51 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.77 -43.17 96.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.687 -0.633 . . . . 0.0 109.648 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 24.2 p -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.06 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.83 94.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 108.386 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.01 -39.25 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.686 -0.634 . . . . 0.0 109.588 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.71 -40.02 86.55 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.221 -0.924 . . . . 0.0 109.112 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.42 -41.12 96.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.867 -1.146 . . . . 0.0 109.135 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.591 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 62.2 m-85 -70.03 -38.23 75.83 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.243 -0.91 . . . . 0.0 109.241 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.159 . . . . 0.0 109.092 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -60.05 -40.18 88.55 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.849 -1.157 . . . . 0.0 108.317 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.03 -39.78 87.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.376 -0.828 . . . . 0.0 109.7 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' C' ' 48' ' ' TYR . 0.2 OUTLIER -59.4 -39.91 84.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.634 -1.291 . . . . 0.0 108.794 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.42 81.4 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.846 -1.159 . . . . 0.0 107.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -39.41 85.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.87 117.17 9.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.995 -1.066 . . . . 0.0 108.166 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 30.5 m120 -132.85 -64.03 0.76 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.435 -0.79 . . . . 0.0 110.352 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.826 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.64 116.97 3.94 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.171 -0.956 . . . . 0.0 109.897 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.788 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.7 m95 -99.59 128.39 45.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.279 -0.888 . . . . 0.0 110.237 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.53 20.45 65.82 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.934 -1.126 . . . . 0.0 110.485 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.38 23.56 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.721 -1.458 . . . . 0.0 109.013 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.68 106.73 2.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.62 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.548 ' CB ' HE22 ' A' ' 64' ' ' GLN . 39.4 m-85 -120.02 11.8 11.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 23.9 ttt180 -138.3 22.26 2.77 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLN . . . . . 0.559 HE22 ' CB ' ' B' ' 62' ' ' PHE . 29.9 mp0 -149.5 152.09 35.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.934 -1.104 . . . . 0.0 108.334 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -100.85 58.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.077 -1.014 . . . . 0.0 108.321 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.45 157.49 43.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.497 -0.752 . . . . 0.0 109.39 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -128.79 132.52 47.88 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.417 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -90.74 113.09 25.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.789 -1.195 . . . . 0.0 109.698 -179.065 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.524 HG23 ' O ' ' C' ' 69' ' ' THR . 9.7 t -113.72 122.48 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.531 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 80.3 t -129.54 82.83 66.55 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -85.21 62.71 5.94 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.669 2.246 . . . . 0.0 111.113 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 15.7 t90 -68.81 132.18 90.81 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.556 -0.715 . . . . 0.0 109.183 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.2 Cg_exo -38.26 149.75 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 121.557 1.505 . . . . 0.0 111.314 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.605 ' C ' HD21 ' C' ' 74' ' ' ASN . 0.2 OUTLIER -129.13 -57.04 1.17 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.371 -0.831 . . . . 0.0 109.204 -178.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.67 124.05 34.77 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.31 107.57 15.09 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.68 136.2 34.81 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.556 0.693 . . . . 0.0 110.216 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -95.32 110.29 49.72 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.836 -0.54 . . . . 0.0 109.683 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -93.71 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.179 0 C-N-CA 121.538 1.492 . . . . 0.0 113.528 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -121.65 -47.73 2.19 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.487 -0.758 . . . . 0.0 112.661 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.703 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.2 p90 -60.08 -58.08 10.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.479 -1.388 . . . . 0.0 112.636 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.703 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.8 OUTLIER -79.76 -39.86 30.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.592 -178.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.98 -48.92 79.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.173 -0.954 . . . . 0.0 109.696 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.6 -44.64 96.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.811 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.461 HG23 ' O ' ' C' ' 81' ' ' TRP . 47.0 p -61.78 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.37 -40.05 92.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.027 -1.045 . . . . 0.0 109.475 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.94 -41.06 90.99 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.907 -1.121 . . . . 0.0 108.815 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.48 93.32 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.309 -0.869 . . . . 0.0 108.74 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 68.8 t90 -59.98 -49.91 75.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.601 -0.687 . . . . 0.0 109.358 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.04 95.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.221 -0.924 . . . . 0.0 109.809 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.123 -0.985 . . . . 0.0 110.519 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -60.04 -42.12 93.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.895 -1.128 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.08 -40.42 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.126 -0.984 . . . . 0.0 108.771 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.05 -49.48 77.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -60.0 -46.54 89.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.932 -1.105 . . . . 0.0 109.774 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.83 -40.06 87.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.175 -0.953 . . . . 0.0 109.226 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -47.62 85.11 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -45.58 92.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.858 . . . . 0.0 109.741 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.487 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.9 t-20 -59.99 -43.96 94.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.106 -0.996 . . . . 0.0 109.761 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.99 -45.98 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.976 -1.077 . . . . 0.0 109.629 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 47.5 p -62.63 -40.82 98.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.075 -1.015 . . . . 0.0 109.581 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.53 77.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.983 . . . . 0.0 109.859 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.34 -42.55 98.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.714 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.02 -44.34 94.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.207 -0.933 . . . . 0.0 109.075 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.99 -47.68 84.81 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.115 -0.99 . . . . 0.0 108.783 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.48 -40.78 97.99 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.396 -0.815 . . . . 0.0 109.424 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.41 96.75 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.127 -0.983 . . . . 0.0 109.329 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -59.99 -49.17 78.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.911 . . . . 0.0 109.562 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 93.0 mt -59.98 -49.29 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.203 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.91 -39.98 94.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.0 109.921 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.18 -45.35 93.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.38 -40.11 89.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.61 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.922 . . . . 0.0 109.878 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.44 -43.21 98.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.946 -1.096 . . . . 0.0 109.389 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.92 -40.0 87.54 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.92 -49.41 77.81 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.6 -0.688 . . . . 0.0 109.573 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.95 89.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 109.411 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.46 -41.73 98.97 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -59.91 -38.12 81.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.926 . . . . 0.0 109.734 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.58 -47.51 85.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -127.9 62.05 1.42 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.616 -0.678 . . . . 0.0 109.329 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.459 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.939 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.568 ' NE2' ' H ' ' A' ' 2' ' ' GLN . 3.2 mp0 -72.35 145.33 47.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.404 -0.81 . . . . 0.0 109.778 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -89.09 61.34 5.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.82 -40.03 96.14 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.52 -0.738 . . . . 0.0 109.153 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 6' ' ' LEU . 6.5 t -60.03 -45.08 93.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.24 -0.912 . . . . 0.0 109.219 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' N ' HG23 ' A' ' 5' ' ' THR . 60.4 tp -60.43 -41.56 94.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 109.133 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.02 -40.03 87.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.818 . . . . 0.0 109.576 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.28 88.58 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.173 -0.954 . . . . 0.0 108.914 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.39 -45.0 57.08 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -47.99 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.286 -1.126 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -44.49 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 108.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.67 -40.2 94.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.215 -0.928 . . . . 0.0 109.421 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -41.71 92.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.0 109.372 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.59 -41.38 97.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.043 -1.036 . . . . 0.0 109.145 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.09 -43.55 95.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.147 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -62.18 -40.22 95.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.18 -0.95 . . . . 0.0 109.405 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.79 -41.79 95.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.924 . . . . 0.0 109.075 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.59 -43.03 97.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.05 -1.031 . . . . 0.0 109.125 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.1 -48.86 79.94 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.81 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -40.43 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.067 -1.02 . . . . 0.0 109.32 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.02 -44.48 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.024 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.73 -40.74 96.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.461 -0.774 . . . . 0.0 109.281 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 45.0 mtt-85 -61.76 -39.99 93.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.393 -0.817 . . . . 0.0 109.913 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.05 -40.04 88.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.095 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 25' ' ' GLN . 14.0 tp60 -60.04 -45.22 93.57 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.167 -0.958 . . . . 0.0 109.554 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.29 -40.61 90.17 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.22 -40.32 95.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.089 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.15 -40.01 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.567 -0.708 . . . . 0.0 109.207 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 29' ' ' ARG . 49.5 mtt-85 -59.86 -41.09 90.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.847 . . . . 0.0 109.361 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 84.7 mt -62.81 -39.88 95.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.556 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 109.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.12 -40.13 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.381 -0.824 . . . . 0.0 109.296 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -59.95 -41.72 92.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.379 -0.826 . . . . 0.0 109.585 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -59.99 -50.04 75.29 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.989 -1.301 . . . . 0.0 109.995 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -61.6 -39.95 93.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.0 109.443 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.64 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -59.99 -39.93 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.356 -0.84 . . . . 0.0 109.39 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.923 -1.11 . . . . 0.0 108.163 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.99 -39.96 87.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.317 -0.864 . . . . 0.0 109.607 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.0 -40.65 89.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.82 -1.175 . . . . 0.0 108.9 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.588 HH22 ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -63.71 -39.99 95.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.047 -1.033 . . . . 0.0 108.515 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.35 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.47 -0.769 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.3 p -60.02 -39.91 87.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.063 -1.023 . . . . 0.0 109.703 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.95 77.16 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.585 -1.322 . . . . 0.0 108.532 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.82 -39.98 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.491 -0.755 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.783 -1.198 . . . . 0.0 108.064 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -59.93 -46.34 89.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.308 -0.87 . . . . 0.0 109.381 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 53.9 m-85 -65.49 -40.07 92.67 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 109.669 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 ' HB3' HD21 ' A' ' 74' ' ' ASN . 73.8 mt -59.97 -39.66 86.41 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.031 -1.043 . . . . 0.0 108.892 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.05 -39.73 86.95 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.05 -39.47 86.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 109.214 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.67 -39.96 86.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.84 -1.163 . . . . 0.0 109.027 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.02 -37.06 76.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.917 -1.114 . . . . 0.0 108.602 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -39.87 87.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.215 -0.928 . . . . 0.0 108.497 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.7 109.45 7.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.969 -1.082 . . . . 0.0 108.611 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 25.1 m120 -133.44 -63.18 0.76 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.35 111.84 3.2 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.487 ' C ' ' H ' ' A' ' 60' ' ' ALA . 43.5 m95 -131.77 149.99 52.29 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 110.196 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 54.24 6.8 0.68 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -77.12 24.02 0.18 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.285 -1.126 . . . . 0.0 109.075 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.34 109.4 2.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 0.0 110.277 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -105.46 12.74 31.11 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.223 -0.923 . . . . 0.0 109.962 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -119.7 22.33 11.65 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.0 mp0 -150.23 151.74 33.49 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.49 60.26 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.054 -1.029 . . . . 0.0 109.237 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.01 158.12 43.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.463 -0.773 . . . . 0.0 109.182 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -127.5 132.9 49.9 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 68' ' ' THR . 6.3 t -97.31 120.02 36.9 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.161 -0.962 . . . . 0.0 110.636 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 69' ' ' THR . 9.8 t -115.33 122.28 45.41 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.417 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 44.8 t -129.03 85.17 60.78 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.466 -0.771 . . . . 0.0 109.245 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -86.06 64.1 5.25 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.73 2.287 . . . . 0.0 111.788 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.6 t90 -69.94 131.48 89.14 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' TRP . 72.9 Cg_exo -38.31 148.08 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.512 1.475 . . . . 0.0 111.382 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 7.2 t30 -124.8 -56.16 1.58 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.275 -0.891 . . . . 0.0 109.132 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.42 125.41 33.67 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 t -81.68 108.32 15.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.809 -1.157 . . . . 0.0 108.012 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -81.65 135.4 35.53 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.536 0.684 . . . . 0.0 109.64 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -91.54 113.14 57.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -93.96 -46.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 114.109 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -121.25 -45.76 2.33 Favored 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.9 p90 -59.99 -55.6 31.98 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.33 -1.481 . . . . 0.0 112.154 -176.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.1 OUTLIER -78.87 -39.51 35.01 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.216 -1.552 . . . . 0.0 109.701 -179.499 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.95 -47.7 84.72 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.186 -0.946 . . . . 0.0 109.114 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -43.93 95.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.988 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 81' ' ' TRP . 77.7 p -68.14 -39.99 82.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.002 -1.062 . . . . 0.0 109.33 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -61.38 -40.04 92.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.078 -1.014 . . . . 0.0 109.303 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.95 -42.48 94.14 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 120.963 -1.086 . . . . 0.0 108.081 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -40.06 96.17 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.583 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.8 t90 -59.96 -50.02 75.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.511 -0.743 . . . . 0.0 109.189 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.5 -39.97 94.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.192 -0.943 . . . . 0.0 109.296 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.32 -41.61 98.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 110.032 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.03 -42.55 94.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.597 -1.314 . . . . 0.0 109.303 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.26 -42.45 90.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 108.828 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.45 -40.15 93.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.421 -0.799 . . . . 0.0 110.625 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -68.89 -40.01 79.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.785 -1.197 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.17 -40.27 78.24 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.114 -0.992 . . . . 0.0 108.448 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.23 -47.28 86.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.55 -41.01 93.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.001 . . . . 0.0 109.646 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.792 ' C ' HD21 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -66.24 -40.91 90.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.118 -0.989 . . . . 0.0 109.74 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.59 -40.11 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.993 -1.067 . . . . 0.0 109.381 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.0 p -62.45 -40.19 95.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.184 -0.948 . . . . 0.0 109.703 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.36 -0.837 . . . . 0.0 109.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.65 -40.07 95.94 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.541 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.68 -44.98 95.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.963 -1.086 . . . . 0.0 109.068 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.08 83.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.17 -0.956 . . . . 0.0 108.974 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.46 -40.46 96.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.587 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.23 -44.32 97.46 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.317 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -49.7 76.66 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.148 -0.97 . . . . 0.0 109.121 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.07 -49.88 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.16 -0.963 . . . . 0.0 109.512 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.02 -40.53 98.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.559 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.0 -50.04 75.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.341 -0.849 . . . . 0.0 109.454 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.5 -42.54 96.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.164 -0.96 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.48 -42.46 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.298 -0.876 . . . . 0.0 109.767 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -0.957 . . . . 0.0 109.149 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.76 -39.94 84.1 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -60.1 -48.78 80.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 0.0 109.69 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 123' ' ' SER . 93.9 mt-30 -60.05 -41.43 92.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.809 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.0 -39.52 86.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.248 -0.907 . . . . 0.0 109.424 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.1 -47.26 85.9 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -126.11 61.96 1.26 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.095 -1.003 . . . . 0.0 109.075 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.28 145.33 47.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.242 -0.911 . . . . 0.0 109.705 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 36.0 p -88.8 61.49 6.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 109.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -62.95 -39.94 96.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.484 -0.76 . . . . 0.0 109.142 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.551 HG23 ' N ' ' B' ' 6' ' ' LEU . 6.3 t -60.05 -45.04 94.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.551 ' N ' HG23 ' B' ' 5' ' ' THR . 61.0 tp -60.37 -41.66 94.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.18 -0.95 . . . . 0.0 109.199 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.472 -0.768 . . . . 0.0 109.61 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.921 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.89 -44.83 54.86 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -47.82 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 109.552 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.0 -44.7 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.093 -1.004 . . . . 0.0 108.965 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -61.58 -39.98 93.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.998 . . . . 0.0 109.438 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.417 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.15 -41.54 96.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.063 -1.023 . . . . 0.0 109.176 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.28 -43.26 96.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.26 -0.9 . . . . 0.0 109.145 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.4 -40.23 95.84 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.205 -0.934 . . . . 0.0 109.309 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.9 -41.77 95.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.116 -0.99 . . . . 0.0 109.143 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.6 -42.87 97.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.12 -0.987 . . . . 0.0 109.171 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.04 -48.97 79.52 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.03 -40.57 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.003 -1.06 . . . . 0.0 109.332 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.94 -44.65 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.225 -0.922 . . . . 0.0 108.924 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.72 -40.62 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 0.0 109.259 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.45 ' CZ ' ' OD1' ' C' ' 99' ' ' ASN . 44.1 mtt-85 -61.87 -39.98 93.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.839 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.1 -40.03 88.22 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.106 -0.996 . . . . 0.0 109.066 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' B' ' 25' ' ' GLN . 14.0 tp60 -59.93 -45.49 92.44 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.223 -0.923 . . . . 0.0 109.418 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.92 -40.75 91.73 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.001 -1.062 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.26 -40.26 95.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.314 -0.866 . . . . 0.0 109.19 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.18 -39.97 88.35 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.515 -0.741 . . . . 0.0 109.197 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 29' ' ' ARG . 49.4 mtt-85 -60.0 -41.01 91.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.404 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.56 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.4 mt -62.66 -40.18 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.299 -0.876 . . . . 0.0 109.578 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.6 p -64.76 -40.06 94.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.25 -39.99 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.211 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -60.04 -41.24 91.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.534 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.55 94.17 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.04 -50.14 74.9 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.28 . . . . 0.0 109.942 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -61.55 -39.89 92.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.283 -0.886 . . . . 0.0 109.446 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.601 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.3 OUTLIER -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.571 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.947 -1.096 . . . . 0.0 108.264 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.02 -40.1 88.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.384 -0.823 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' B' ' 43' ' ' THR . 47.5 p -59.97 -40.27 88.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.904 -1.123 . . . . 0.0 108.997 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.565 HH22 ' CG ' ' C' ' 82' ' ' ASN . 50.0 mtt-85 -64.14 -39.94 95.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.033 -1.042 . . . . 0.0 108.195 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.51 -41.66 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.489 -0.757 . . . . 0.0 109.524 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 40' ' ' THR . 54.9 p -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.986 -1.071 . . . . 0.0 109.736 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.01 77.99 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.487 -1.383 . . . . 0.0 108.609 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.71 -40.02 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.519 -0.738 . . . . 0.0 110.444 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.837 -1.164 . . . . 0.0 108.079 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -59.99 -46.53 89.16 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.415 -0.803 . . . . 0.0 109.38 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 54.8 m-85 -65.4 -40.0 92.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.93 -39.64 86.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.0 108.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.07 -39.52 86.32 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.07 -39.29 85.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.396 -0.815 . . . . 0.0 109.237 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.7 OUTLIER -59.93 -39.87 86.99 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.802 -1.186 . . . . 0.0 109.026 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.542 ' O ' ' ND2' ' B' ' 56' ' ' ASN . . . -59.09 -37.13 76.39 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.936 -1.102 . . . . 0.0 108.506 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.98 -39.55 86.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.945 . . . . 0.0 108.507 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.0 109.52 7.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.025 -1.047 . . . . 0.0 108.669 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 44.4 m-80 -133.58 -62.87 0.77 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.66 111.79 3.11 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.493 ' C ' ' H ' ' B' ' 60' ' ' ALA . 44.0 m95 -131.98 149.99 52.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.402 -0.811 . . . . 0.0 110.169 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 54.2 6.81 0.68 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -77.16 23.77 0.18 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.306 -1.114 . . . . 0.0 109.123 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.23 109.52 2.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.196 -0.94 . . . . 0.0 110.266 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -105.54 13.16 30.44 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.255 -0.903 . . . . 0.0 110.069 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -120.07 22.43 11.44 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.0 mp0 -150.25 151.79 33.54 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -107.65 60.19 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.013 -1.054 . . . . 0.0 109.175 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.7 43.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.485 -0.759 . . . . 0.0 109.245 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.2 133.17 50.31 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 68' ' ' THR . 6.3 t -97.45 120.27 37.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.11 -0.993 . . . . 0.0 110.532 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.544 HG23 ' O ' ' B' ' 69' ' ' THR . 9.8 t -115.48 122.42 45.7 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.577 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 42.7 t -129.03 85.45 60.0 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.351 -0.843 . . . . 0.0 109.283 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.24 64.15 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.71 2.273 . . . . 0.0 111.916 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.5 t90 -70.04 131.35 89.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.595 -0.691 . . . . 0.0 109.234 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' B' ' 72' ' ' TRP . 73.8 Cg_exo -38.31 148.14 0.1 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 121.46 1.44 . . . . 0.0 111.307 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.2 t-20 -124.88 -56.43 1.57 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.418 -0.801 . . . . 0.0 109.018 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.04 125.38 33.39 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.7 t -81.69 108.5 15.29 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.796 -1.161 . . . . 0.0 107.936 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -81.6 135.92 35.56 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.5 0.667 . . . . 0.0 109.558 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.677 HG23 ' O ' ' B' ' 78' ' ' THR . 15.3 t -91.8 113.03 57.55 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -93.84 -46.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.607 1.538 . . . . 0.0 114.033 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -121.21 -45.76 2.33 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.9 p90 -60.02 -55.82 29.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.368 -1.457 . . . . 0.0 112.083 -176.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.1 OUTLIER -78.59 -39.66 36.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.18 -1.575 . . . . 0.0 109.676 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -60.01 -47.55 85.37 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.0 109.022 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.134 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.439 HG23 ' O ' ' B' ' 81' ' ' TRP . 76.3 p -68.57 -39.94 80.79 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.04 -1.037 . . . . 0.0 109.26 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -61.49 -40.04 93.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.088 -1.008 . . . . 0.0 109.149 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.933 -1.104 . . . . 0.0 108.103 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.17 96.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.525 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.8 t90 -60.0 -49.93 75.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.45 -0.781 . . . . 0.0 109.289 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.18 -40.03 95.25 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.249 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.32 -41.46 98.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.08 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -60.01 -42.82 95.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.614 -1.304 . . . . 0.0 109.242 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.16 -42.24 89.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.226 -0.921 . . . . 0.0 108.792 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.35 -40.19 93.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 0.0 110.747 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -68.94 -40.07 79.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.703 -1.248 . . . . 0.0 109.408 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.16 -40.01 78.43 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.108 -0.995 . . . . 0.0 108.507 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.78 -46.77 89.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.782 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -40.98 92.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.958 -1.089 . . . . 0.0 109.703 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.562 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 51.6 t-20 -66.16 -41.09 90.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.55 -40.18 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.023 -1.048 . . . . 0.0 109.378 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.626 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.76 80.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.0 109.837 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.65 -40.45 96.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.086 -1.009 . . . . 0.0 109.479 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.41 -44.99 96.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.076 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -48.36 82.01 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.185 -0.947 . . . . 0.0 108.922 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.17 -40.64 96.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.418 -0.801 . . . . 0.0 109.703 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.27 97.55 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.274 -0.891 . . . . 0.0 109.236 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.0 -49.71 76.61 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.1 -1.0 . . . . 0.0 109.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.96 -49.99 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.434 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.92 -40.66 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -59.94 -50.04 75.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.245 -0.909 . . . . 0.0 109.516 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.38 -42.28 95.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.185 -0.947 . . . . 0.0 109.367 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.73 -42.18 96.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.34 -0.85 . . . . 0.0 109.79 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -62.95 -42.29 99.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.076 -1.015 . . . . 0.0 108.973 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.8 -40.01 83.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.29 -0.881 . . . . 0.0 108.873 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.94 -48.76 80.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.48 -0.762 . . . . 0.0 109.311 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.42 -40.05 89.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.885 . . . . 0.0 109.518 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.12 -41.81 93.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 109.738 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 123' ' ' SER . 93.7 mt-30 -60.21 -41.43 93.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 0.0 109.829 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -60.1 -39.71 87.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.94 -46.95 86.75 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -126.22 61.84 1.28 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.01 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.33 0.585 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.59 145.35 47.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.0 109.777 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -88.93 61.52 5.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.878 . . . . 0.0 109.145 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.99 -40.06 96.61 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.534 HG23 ' N ' ' C' ' 6' ' ' LEU . 6.5 t -59.95 -45.06 93.87 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.315 -0.866 . . . . 0.0 109.229 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.534 ' N ' HG23 ' C' ' 5' ' ' THR . 60.7 tp -60.54 -41.31 94.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.214 -0.928 . . . . 0.0 109.192 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.35 -39.93 88.93 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.53 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.15 88.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.175 -0.953 . . . . 0.0 108.945 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.56 -44.96 56.29 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -1.107 . . . . 0.0 109.513 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.13 -44.45 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.031 -1.043 . . . . 0.0 108.827 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.79 -39.97 93.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 109.541 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.34 -41.88 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 109.244 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -61.14 -41.56 96.96 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -43.59 94.97 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.203 -0.935 . . . . 0.0 109.257 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.12 -40.06 94.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.377 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.92 -42.08 95.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.081 -1.012 . . . . 0.0 109.013 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.23 -43.06 96.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.145 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.0 -48.92 79.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.168 -0.958 . . . . 0.0 109.878 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.05 -40.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.975 -1.078 . . . . 0.0 109.328 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -44.71 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.31 -0.868 . . . . 0.0 108.911 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.81 -40.93 96.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.512 -0.743 . . . . 0.0 109.171 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.437 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 44.5 mtt-85 -61.56 -39.99 93.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.864 . . . . 0.0 109.795 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.07 -40.06 88.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 109.155 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -59.96 -45.02 94.01 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.154 -0.967 . . . . 0.0 109.483 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.52 -40.24 89.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.931 -1.105 . . . . 0.0 109.401 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.61 -40.12 95.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.265 -0.897 . . . . 0.0 108.968 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.23 -39.97 88.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.48 -0.763 . . . . 0.0 109.243 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' C' ' 29' ' ' ARG . 48.6 mtt-85 -59.97 -40.88 90.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.391 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.583 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.7 mt -62.9 -40.08 96.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -64.81 -40.06 94.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 109.481 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.13 -40.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.89 . . . . 0.0 109.256 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -60.0 -41.75 92.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.533 -0.73 . . . . 0.0 109.522 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -46.54 93.98 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.21 -50.0 75.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.045 -1.268 . . . . 0.0 109.894 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -61.64 -39.98 93.25 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.0 109.403 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.622 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.2 OUTLIER -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.338 -0.851 . . . . 0.0 109.377 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.812 -1.18 . . . . 0.0 108.206 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.259 -0.901 . . . . 0.0 109.632 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' C' ' 43' ' ' THR . 47.7 p -59.96 -40.21 88.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.843 -1.161 . . . . 0.0 108.957 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' A' ' 82' ' ' ASN . 50.0 mtt-85 -64.07 -40.0 95.31 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.8 -41.48 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.532 -0.73 . . . . 0.0 109.412 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' C' ' 40' ' ' THR . 54.5 p -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.998 -1.064 . . . . 0.0 109.636 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.95 78.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.438 -1.414 . . . . 0.0 108.522 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.597 -0.689 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.757 -1.214 . . . . 0.0 108.058 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.04 -46.32 89.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.385 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.59 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 55.0 m-85 -65.44 -40.02 92.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.0 109.689 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.02 -39.75 86.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.01 -39.77 86.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.848 -1.158 . . . . 0.0 107.948 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.128 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.624 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -59.77 -40.06 86.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.807 -1.183 . . . . 0.0 109.024 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -58.93 -36.97 75.65 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.966 -1.084 . . . . 0.0 108.524 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.02 -39.95 87.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.201 -0.937 . . . . 0.0 108.53 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -73.43 109.49 6.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.048 . . . . 0.0 108.598 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.2 m120 -133.64 -62.71 0.77 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.79 111.42 3.03 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.462 ' C ' ' H ' ' C' ' 60' ' ' ALA . 44.0 m95 -131.54 150.1 52.27 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.448 -0.782 . . . . 0.0 110.205 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.01 7.17 0.7 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -77.61 24.03 0.22 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.267 -1.137 . . . . 0.0 109.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.34 109.83 2.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.124 -0.985 . . . . 0.0 110.281 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.04 13.11 29.64 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.243 -0.91 . . . . 0.0 110.014 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -120.02 22.33 11.5 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -150.21 151.82 33.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -107.54 60.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.107 -0.995 . . . . 0.0 109.27 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 158.09 43.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.41 133.05 50.0 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.481 HG23 ' O ' ' C' ' 68' ' ' THR . 6.3 t -97.5 120.13 37.31 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.551 HG23 ' O ' ' C' ' 69' ' ' THR . 9.9 t -115.53 122.15 44.82 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.414 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 42.3 t -128.72 85.34 60.52 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.367 -0.833 . . . . 0.0 109.304 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.19 64.2 5.13 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.759 2.306 . . . . 0.0 111.864 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' C' ' 73' ' ' PRO . 17.2 t90 -70.07 131.51 88.9 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.424 ' C ' ' O ' ' C' ' 72' ' ' TRP . 72.9 Cg_exo -38.35 148.25 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.236 0 C-N-CA 121.445 1.43 . . . . 0.0 111.233 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.2 t-20 -124.97 -56.84 1.55 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.0 108.991 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.96 125.02 33.06 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -81.37 108.44 14.98 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.052 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.6 mt -81.43 135.92 35.66 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.615 0.721 . . . . 0.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.671 HG23 ' O ' ' C' ' 78' ' ' THR . 15.4 t -91.82 112.96 57.27 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.82 -46.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.615 1.543 . . . . 0.0 113.985 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -121.25 -45.84 2.32 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.674 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.6 p90 -60.01 -55.74 30.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.281 -1.512 . . . . 0.0 112.097 -176.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.674 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.1 OUTLIER -78.64 -39.66 36.4 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.072 -1.642 . . . . 0.0 109.678 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.98 -47.57 85.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.132 -0.98 . . . . 0.0 109.159 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -43.76 95.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 109.119 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' C' ' 81' ' ' TRP . 76.2 p -68.41 -39.95 81.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.146 -0.971 . . . . 0.0 109.17 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -61.58 -39.98 93.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.13 -0.981 . . . . 0.0 109.166 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -42.33 94.07 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.907 -1.121 . . . . 0.0 108.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.1 96.14 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.5 t90 -59.94 -49.95 75.67 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.24 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.55 -40.03 94.84 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.183 -0.948 . . . . 0.0 109.214 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.24 -41.44 98.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.145 -0.972 . . . . 0.0 110.17 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -60.07 -42.4 94.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.653 -1.279 . . . . 0.0 109.235 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.55 -42.61 92.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.184 -0.947 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.79 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.53 -39.96 80.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.833 -1.167 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.28 -39.98 78.03 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.529 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -46.2 91.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.353 -0.842 . . . . 0.0 109.784 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.23 -40.8 90.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.65 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.801 ' C ' HD21 ' C' ' 99' ' ' ASN . 0.2 OUTLIER -66.33 -41.06 90.16 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.795 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.54 -40.01 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.425 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.1 p -62.71 -39.97 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.04 . . . . 0.0 109.631 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.96 79.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.65 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.096 -1.002 . . . . 0.0 109.588 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.68 -45.28 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.967 -1.083 . . . . 0.0 108.954 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.05 83.32 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.195 -0.941 . . . . 0.0 108.933 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.567 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.45 97.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 109.226 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.09 -49.47 77.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.189 -0.944 . . . . 0.0 109.215 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.07 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.9 -40.65 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 0.0 109.588 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.03 -50.0 75.44 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.165 -0.959 . . . . 0.0 109.419 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.33 -42.54 95.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.118 -0.989 . . . . 0.0 109.292 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.46 -42.42 96.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 0.0 109.777 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -62.52 -42.52 99.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.118 -0.989 . . . . 0.0 109.111 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.82 -39.95 83.86 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.437 -0.789 . . . . 0.0 109.365 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.31 -39.99 88.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.311 -0.868 . . . . 0.0 109.639 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.17 -41.83 93.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' C' ' 123' ' ' SER . 93.7 mt-30 -59.99 -41.68 92.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.89 . . . . 0.0 109.973 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.0 -38.88 83.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.211 -0.93 . . . . 0.0 109.603 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.78 -46.98 87.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.23 62.03 1.27 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.107 -0.996 . . . . 0.0 109.025 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.411 0.625 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.522 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 77.7 mt-30 -68.5 143.32 55.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.379 -0.825 . . . . 0.0 109.549 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -91.2 59.87 4.08 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -0.865 . . . . 0.0 109.577 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 51.0 mtt-85 -64.95 -40.04 94.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.568 -0.708 . . . . 0.0 109.345 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.8 t -60.34 -41.37 93.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.266 -0.896 . . . . 0.0 109.32 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' N ' HG23 ' A' ' 5' ' ' THR . 58.9 tp -60.1 -43.68 95.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.22 -0.925 . . . . 0.0 108.561 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.62 -40.05 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.6 -0.688 . . . . 0.0 109.5 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.7 92.49 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.03 89.61 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.849 -1.701 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.22 -46.82 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -1.093 . . . . 0.0 109.058 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.05 -46.48 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.59 -38.32 87.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.346 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.404 ' OE1' ' NE2' ' B' ' 110' ' ' GLN . 36.8 tp60 -59.93 -41.8 92.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 109.224 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -63.02 -40.18 96.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.992 -1.068 . . . . 0.0 109.11 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.46 -40.27 90.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.347 -0.846 . . . . 0.0 109.833 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' B' ' 110' ' ' GLN . 28.7 mt-30 -66.72 -40.0 88.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.814 -1.179 . . . . 0.0 109.515 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.27 -41.35 99.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 104' ' ' LEU . 50.9 tp -60.28 -43.1 96.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.387 -0.821 . . . . 0.0 109.547 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.0 -45.32 93.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -40.19 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 110.015 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.17 -42.03 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 108.746 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.01 -40.75 94.74 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.34 0.59 . . . . 0.0 109.596 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -60.44 -40.32 90.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.509 -0.745 . . . . 0.0 109.264 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.92 -40.05 87.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.319 -0.863 . . . . 0.0 109.033 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.85 -48.96 79.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.779 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.72 -40.5 96.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.602 -1.311 . . . . 0.0 109.274 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.06 -41.4 96.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.209 -0.932 . . . . 0.0 109.313 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.22 -41.01 92.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.479 -0.763 . . . . 0.0 109.712 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' A' ' 29' ' ' ARG . 42.6 mtt-85 -60.23 -39.87 88.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.953 -1.092 . . . . 0.0 109.249 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.0 mt -61.49 -40.04 93.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -65.64 -40.05 92.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.05 -1.031 . . . . 0.0 109.865 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.77 -40.13 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.145 -0.972 . . . . 0.0 108.926 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -60.05 -42.82 95.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.477 -0.764 . . . . 0.0 110.354 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.83 93.47 Favored Glycine 0 N--CA 1.486 2.024 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.105 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -60.26 -49.99 75.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.075 -1.25 . . . . 0.0 109.913 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -60.05 -39.87 87.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.023 -1.048 . . . . 0.0 109.698 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.62 -40.09 86.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.438 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.0 88.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.949 -1.094 . . . . 0.0 108.735 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.395 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 43' ' ' THR . 69.8 p -59.92 -40.83 90.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.925 -1.11 . . . . 0.0 108.708 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.555 HH21 ' CG ' ' B' ' 82' ' ' ASN . 53.9 mtt-85 -67.35 -39.76 85.76 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.05 -41.05 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.016 -1.053 . . . . 0.0 108.741 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 40' ' ' THR . 70.9 p -59.94 -41.01 90.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.815 -1.178 . . . . 0.0 109.196 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.1 96.98 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.936 -1.102 . . . . 0.0 108.454 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.07 -40.2 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.676 -0.64 . . . . 0.0 110.133 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.567 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 12.5 mm-40 -60.2 -40.31 89.6 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 109.026 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.55 -42.01 98.21 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.301 -0.874 . . . . 0.0 110.808 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CE1' ' O ' ' B' ' 74' ' ' ASN . 63.3 m-85 -68.08 -38.43 82.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.057 -1.027 . . . . 0.0 109.579 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 84.3 mt -59.94 -39.79 86.72 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.737 -1.227 . . . . 0.0 108.42 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.57 -38.51 81.33 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.382 -1.449 . . . . 0.0 108.159 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -63.09 -26.93 69.06 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 42.7 tt0 -59.92 -43.26 95.01 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.17 79.86 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.501 -0.75 . . . . 0.0 109.908 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -80.08 112.44 17.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.946 -1.096 . . . . 0.0 109.164 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.15 -72.12 0.51 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.364 -0.835 . . . . 0.0 109.214 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.2 94.3 2.29 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.412 ' C ' ' H ' ' A' ' 60' ' ' ALA . 52.2 m95 -112.67 145.31 40.67 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.576 -0.702 . . . . 0.0 110.927 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.29 0.6 4.69 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -73.89 24.84 0.07 Allowed 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.421 -1.046 . . . . 0.0 108.975 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.72 112.45 3.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.096 -1.002 . . . . 0.0 109.651 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -114.27 12.03 17.56 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.495 -0.753 . . . . 0.0 110.504 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 HH22 ' HB3' ' C' ' 63' ' ' ARG . 10.7 ptp180 -121.06 21.75 11.2 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -144.18 151.05 38.97 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.1 58.66 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.035 -1.04 . . . . 0.0 108.55 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.91 158.1 42.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.47 -0.769 . . . . 0.0 109.604 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -127.15 133.65 50.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 68' ' ' THR . 5.3 t -98.64 119.71 37.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.136 -0.978 . . . . 0.0 111.111 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 69' ' ' THR . 10.0 t -116.64 119.28 35.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 84.3 t -122.45 93.07 48.75 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.436 -0.79 . . . . 0.0 109.15 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -87.01 62.71 4.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.765 2.31 . . . . 0.0 112.325 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 33.2 t90 -70.1 130.66 89.48 Favored Pre-proline 0 N--CA 1.493 1.706 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 97.5 Cg_exo -38.32 147.63 0.11 Allowed 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.418 1.412 . . . . 0.0 112.066 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.567 ' O ' ' CE1' ' C' ' 48' ' ' TYR . 65.4 t30 -130.7 -58.76 1.03 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.567 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -86.73 123.78 32.26 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.72 109.53 16.96 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.13 136.44 35.9 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.444 0.64 . . . . 0.0 109.394 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 78' ' ' THR . 12.4 t -93.16 112.96 58.58 Favored Pre-proline 0 N--CA 1.494 1.732 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -94.61 -47.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.976 0 C-N-CA 121.647 1.565 . . . . 0.0 114.541 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.06 -44.39 2.41 Favored 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.97 -49.93 75.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.28 -1.513 . . . . 0.0 112.605 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.629 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 2.0 t-20 -71.02 -41.09 71.33 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.009 -1.682 . . . . 0.0 110.595 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -59.94 -49.96 75.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.0 . . . . 0.0 110.156 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.0 -44.91 94.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.955 -1.091 . . . . 0.0 109.155 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 81' ' ' TRP . 81.9 p -70.03 -40.07 75.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.132 -0.98 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 42.8 t-105 -67.45 -39.97 85.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.028 -1.045 . . . . 0.0 109.301 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.01 -40.73 90.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.678 -1.264 . . . . 0.0 108.571 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.25 -41.08 96.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.04 -1.038 . . . . 0.0 108.505 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.563 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.6 t90 -60.08 -50.11 74.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.496 -0.752 . . . . 0.0 109.197 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.33 -41.22 98.37 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.825 . . . . 0.0 109.373 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -63.28 -40.29 96.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.487 -0.758 . . . . 0.0 110.192 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.36 -40.86 92.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.82 -1.175 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.26 -40.98 91.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -60.64 -44.68 96.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -66.89 -40.28 87.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.93 -1.106 . . . . 0.0 109.48 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.17 -40.35 86.59 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.27 -49.28 78.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 108.941 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.06 -42.22 98.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.466 -0.771 . . . . 0.0 109.661 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -62.33 -40.12 95.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.034 -1.041 . . . . 0.0 109.391 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.23 -41.38 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.114 -0.991 . . . . 0.0 109.272 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -62.49 -41.28 98.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.03 -1.044 . . . . 0.0 109.105 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.59 81.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.403 -0.81 . . . . 0.0 109.005 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -47.13 87.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.43 -0.794 . . . . 0.0 109.761 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 18' ' ' LEU . 83.6 mt -59.99 -41.96 93.19 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.356 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.12 -48.86 79.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 109.181 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 -41.87 96.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.518 -0.739 . . . . 0.0 109.591 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.17 93.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.005 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -59.97 -46.9 87.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.053 -1.029 . . . . 0.0 109.401 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.17 -49.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.189 -0.944 . . . . 0.0 109.571 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.471 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 14.7 tt0 -67.96 -40.32 83.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.86 . . . . 0.0 109.976 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -60.03 -49.16 78.76 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.78 -40.53 97.59 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.12 -0.987 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.11 -40.06 96.53 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.014 -1.054 . . . . 0.0 109.648 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -67.57 -40.1 84.88 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.977 -1.077 . . . . 0.0 109.385 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.81 -39.88 76.28 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.089 -1.007 . . . . 0.0 108.645 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.06 -48.2 82.69 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.29 -40.25 93.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.187 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -41.64 92.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.241 -0.912 . . . . 0.0 109.603 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.0 mt-30 -61.0 -42.46 98.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -60.29 -40.03 89.03 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.0 109.367 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.466 HD13 ' NH1' ' A' ' 4' ' ' ARG . 99.5 mt -59.45 -49.11 79.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -116.48 58.86 0.75 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.655 -0.653 . . . . 0.0 109.292 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.128 . . . . 0.0 109.007 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.323 0.582 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.542 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 77.8 mt-30 -68.57 143.22 54.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.526 -0.734 . . . . 0.0 109.606 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -90.88 59.89 4.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.076 -1.015 . . . . 0.0 109.58 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.542 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 49.7 mtt-85 -64.81 -40.09 94.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.627 -0.67 . . . . 0.0 109.335 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.475 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.6 t -60.34 -41.61 93.97 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.293 -0.88 . . . . 0.0 109.407 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.475 ' N ' HG23 ' B' ' 5' ' ' THR . 58.9 tp -59.98 -43.94 94.82 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.57 -40.19 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.45 -0.781 . . . . 0.0 109.457 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.46 90.43 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.932 -1.105 . . . . 0.0 108.308 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.21 -44.68 90.44 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.36 -46.52 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -1.033 . . . . 0.0 109.107 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.05 -46.68 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.012 -1.055 . . . . 0.0 108.766 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -61.83 -38.23 87.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.609 -0.682 . . . . 0.0 109.207 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.407 ' OE1' ' NE2' ' C' ' 110' ' ' GLN . 37.2 tp60 -59.99 -41.85 92.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.157 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -63.03 -40.03 96.52 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.899 -1.126 . . . . 0.0 109.042 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.32 -40.25 89.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 109.836 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.461 ' OE1' ' NE2' ' C' ' 110' ' ' GLN . 28.7 mt-30 -66.85 -40.07 87.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.279 -0.888 . . . . 0.0 109.42 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.36 -41.34 98.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.303 -0.873 . . . . 0.0 109.328 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' B' ' 104' ' ' LEU . 49.6 tp -60.12 -43.35 95.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 109.804 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.87 -45.32 92.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.893 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.95 -40.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.992 . . . . 0.0 109.88 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.19 -41.65 87.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.246 -0.909 . . . . 0.0 108.926 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 61.0 tttp -61.02 -40.96 95.55 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.379 0.609 . . . . 0.0 109.508 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -60.39 -40.06 89.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.356 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.92 -40.09 87.68 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.973 . . . . 0.0 109.137 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.97 -48.61 80.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.759 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 4.9 mp0 -63.9 -40.17 95.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.688 -1.257 . . . . 0.0 109.277 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.25 -41.34 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.373 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.32 -40.75 91.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.465 -0.772 . . . . 0.0 109.919 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' B' ' 29' ' ' ARG . 42.9 mtt-85 -59.99 -40.21 88.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.952 . . . . 0.0 109.439 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.505 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.819 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.9 p -65.5 -39.99 92.53 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.095 -1.003 . . . . 0.0 109.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.95 -40.09 84.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.329 -0.857 . . . . 0.0 108.942 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -60.09 -42.77 95.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.507 -0.746 . . . . 0.0 110.312 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.78 93.54 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.296 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -60.63 -49.93 75.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.947 -1.325 . . . . 0.0 109.751 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -60.06 -39.6 86.57 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.028 -1.045 . . . . 0.0 109.721 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.02 -40.04 87.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.1 -40.14 88.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.051 -1.031 . . . . 0.0 108.731 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 0.0 109.64 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.0 p -60.01 -40.38 89.06 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.866 -1.147 . . . . 0.0 108.503 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.568 HH21 ' CG ' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -67.28 -39.84 86.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.261 -0.899 . . . . 0.0 108.86 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.06 -40.83 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.264 -0.897 . . . . 0.0 108.86 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 40' ' ' THR . 69.6 p -60.09 -40.95 91.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.827 -1.17 . . . . 0.0 109.139 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.55 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.22 -40.06 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.554 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 12.3 mm-40 -60.31 -39.95 88.82 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.251 -0.906 . . . . 0.0 109.108 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' C' ' 74' ' ' ASN . 63.9 m-85 -67.27 -38.85 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.037 -1.04 . . . . 0.0 109.63 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' B' ' 75' ' ' ALA . 84.6 mt -59.91 -39.1 84.24 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.677 -1.264 . . . . 0.0 108.557 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.85 -38.47 82.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.504 -1.373 . . . . 0.0 108.199 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.57 -26.92 68.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.488 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 44.2 tt0 -59.94 -43.74 94.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.89 78.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.907 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -79.95 112.85 17.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.591 -1.318 . . . . 0.0 109.166 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.6 m120 -133.24 -72.28 0.51 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.328 -0.857 . . . . 0.0 109.231 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.15 93.91 2.24 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.407 ' C ' ' H ' ' B' ' 60' ' ' ALA . 50.9 m95 -112.39 145.51 39.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.501 -0.75 . . . . 0.0 110.86 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.8 1.16 4.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.511 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -74.32 25.14 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.304 -1.115 . . . . 0.0 108.957 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.31 112.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.234 -0.916 . . . . 0.0 109.824 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -114.25 12.1 17.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.619 -0.675 . . . . 0.0 110.432 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.405 ' HB3' HH22 ' C' ' 63' ' ' ARG . 10.5 ptp180 -120.64 21.13 11.63 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -143.43 151.48 40.41 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -107.06 58.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 120.97 -1.081 . . . . 0.0 108.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.72 158.08 42.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.559 -0.713 . . . . 0.0 109.622 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -126.84 133.62 50.71 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.439 HG23 ' O ' ' B' ' 68' ' ' THR . 5.0 t -98.75 119.67 37.89 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.169 -0.957 . . . . 0.0 111.104 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 69' ' ' THR . 9.9 t -116.52 119.14 34.64 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.415 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 89.7 t -121.97 93.38 48.63 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.492 -0.755 . . . . 0.0 109.086 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -87.08 62.24 4.14 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.596 2.197 . . . . 0.0 112.605 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 30.4 t90 -69.84 130.15 90.4 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 99.9 Cg_exo -38.18 147.66 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.236 0 C-N-CA 121.426 1.417 . . . . 0.0 112.114 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 65.4 t30 -130.52 -59.5 1.02 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.554 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -86.38 124.03 32.28 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.86 109.71 17.22 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.74 -1.225 . . . . 0.0 107.723 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.05 136.34 35.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.688 HG23 ' O ' ' B' ' 78' ' ' THR . 12.4 t -93.08 113.09 58.93 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.554 -0.716 . . . . 0.0 109.078 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -94.41 -48.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.596 1.531 . . . . 0.0 114.468 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.17 -44.36 2.39 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.5 p90 -59.92 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.119 -1.613 . . . . 0.0 112.451 -175.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.624 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 2.0 t-20 -70.92 -41.04 71.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.272 -1.518 . . . . 0.0 110.654 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -60.03 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.197 -0.939 . . . . 0.0 110.083 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.766 -1.209 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 81' ' ' TRP . 81.5 p -70.03 -39.73 75.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 109.779 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.412 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 43.4 t-105 -67.79 -39.95 84.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.913 -1.117 . . . . 0.0 109.417 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -40.16 88.95 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.642 -1.286 . . . . 0.0 108.648 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.81 -41.19 97.46 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.098 -1.001 . . . . 0.0 108.471 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.5 t90 -60.17 -49.97 75.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.441 -0.787 . . . . 0.0 109.073 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.95 -41.74 98.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.488 -0.758 . . . . 0.0 109.274 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.75 -40.32 96.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 110.201 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.7 -40.53 92.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.82 -1.175 . . . . 0.0 109.105 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.73 -40.4 88.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.19 -43.92 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.389 -0.819 . . . . 0.0 110.718 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.732 -1.23 . . . . 0.0 109.676 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.82 -40.52 83.81 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.169 -0.957 . . . . 0.0 108.827 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -49.66 76.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.267 -0.896 . . . . 0.0 108.93 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.52 -42.47 96.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.481 -0.762 . . . . 0.0 109.784 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.414 ' HA ' HD21 ' B' ' 99' ' ' ASN . 10.5 m120 -61.88 -40.23 94.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.185 -0.947 . . . . 0.0 109.572 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.14 -41.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.243 -0.91 . . . . 0.0 109.277 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -62.06 -41.68 98.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.194 -0.941 . . . . 0.0 109.16 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.09 83.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.863 . . . . 0.0 109.292 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.14 -47.52 85.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.494 -0.754 . . . . 0.0 109.653 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' B' ' 18' ' ' LEU . 84.4 mt -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.218 -0.926 . . . . 0.0 109.261 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.2 -49.48 77.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.255 -0.903 . . . . 0.0 109.13 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.12 -41.46 92.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.573 -0.704 . . . . 0.0 109.664 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.4 -45.07 94.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.358 -0.839 . . . . 0.0 109.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -60.03 -46.92 87.9 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.03 -1.044 . . . . 0.0 109.374 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.14 -49.8 82.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.29 -0.882 . . . . 0.0 109.59 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 16' ' ' GLN . 14.6 tt0 -68.23 -40.04 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 109.935 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.25 -49.32 78.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.883 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.91 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -62.69 -40.0 95.75 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.0 109.798 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -67.68 -40.2 84.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.922 -1.111 . . . . 0.0 109.502 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.67 -39.8 76.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 108.661 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.23 -48.36 82.06 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -40.14 92.75 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.12 -42.24 94.35 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.41 -0.806 . . . . 0.0 109.804 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.3 mt-30 -60.68 -42.48 97.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.094 -1.004 . . . . 0.0 109.732 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.23 -39.89 88.28 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.233 -0.917 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.457 HD13 ' NH1' ' B' ' 4' ' ' ARG . 98.8 mt -59.57 -49.38 77.98 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.38 58.6 0.75 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.697 -0.627 . . . . 0.0 109.495 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.288 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.447 0.642 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.534 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 78.3 mt-30 -69.16 143.54 54.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.285 -0.884 . . . . 0.0 109.543 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -91.07 59.85 4.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.534 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 50.1 mtt-85 -65.04 -40.06 94.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.392 -0.818 . . . . 0.0 109.398 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.476 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.8 t -60.1 -41.25 92.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.476 ' N ' HG23 ' C' ' 5' ' ' THR . 59.2 tp -59.98 -43.99 94.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.227 -0.921 . . . . 0.0 108.559 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.31 -39.87 88.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.591 -0.693 . . . . 0.0 109.625 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.63 92.36 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.43 -44.71 89.74 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.25 -46.93 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.535 -0.979 . . . . 0.0 109.217 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.88 -47.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.78 -38.59 85.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.463 -0.773 . . . . 0.0 109.359 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' GLN . . . . . 0.471 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 36.7 tp60 -59.84 -41.78 92.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.306 -0.871 . . . . 0.0 109.386 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -63.22 -40.03 96.31 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.921 -1.112 . . . . 0.0 109.11 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.47 -40.31 90.75 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.247 -0.908 . . . . 0.0 109.7 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.419 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 28.8 mt-30 -66.53 -40.06 88.94 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.0 109.605 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.4 -41.58 98.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' C' ' 104' ' ' LEU . 50.9 tp -60.24 -43.63 95.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.407 -0.808 . . . . 0.0 109.398 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.86 -44.5 94.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 109.939 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.58 -40.28 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.12 -41.88 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.201 -0.937 . . . . 0.0 108.82 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.15 -40.79 95.17 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.362 0.601 . . . . 0.0 109.558 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -60.08 -40.11 88.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.392 -0.818 . . . . 0.0 109.165 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.1 -39.88 87.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.353 -0.842 . . . . 0.0 109.147 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.11 -48.67 80.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.408 -0.807 . . . . 0.0 109.711 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -64.01 -40.24 95.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.609 -1.307 . . . . 0.0 109.419 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -61.24 -41.36 96.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.37 -0.831 . . . . 0.0 109.186 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.47 -40.83 92.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.537 -0.727 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.441 ' HG2' HH11 ' C' ' 29' ' ' ARG . 42.0 mtt-85 -60.1 -39.91 87.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.051 . . . . 0.0 109.404 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.563 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.3 mt -61.47 -40.11 93.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.945 . . . . 0.0 109.652 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -65.63 -40.39 92.5 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 109.723 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.56 -40.17 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.201 -0.937 . . . . 0.0 109.062 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -60.11 -42.8 95.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.76 . . . . 0.0 110.263 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -47.32 91.53 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.29 -50.03 75.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.309 . . . . 0.0 109.838 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -60.17 -39.26 85.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 109.676 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.025 . . . . 0.0 109.284 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.14 -40.08 88.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.973 -1.079 . . . . 0.0 108.874 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.12 -40.05 88.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.119 -0.988 . . . . 0.0 109.378 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -60.19 -40.23 89.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.767 -1.208 . . . . 0.0 108.649 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.561 HH21 ' CG ' ' A' ' 82' ' ' ASN . 52.6 mtt-85 -67.52 -39.79 85.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 108.673 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -41.05 84.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.275 -0.89 . . . . 0.0 108.669 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 71.8 p -60.05 -40.75 90.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.814 -1.179 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.07 96.23 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.94 -40.28 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.726 -0.609 . . . . 0.0 110.258 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.564 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 12.8 mm-40 -60.08 -39.93 87.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.114 -0.991 . . . . 0.0 108.999 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.21 -42.49 99.34 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.902 . . . . 0.0 110.394 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 74' ' ' ASN . 63.6 m-85 -67.46 -38.48 84.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.002 -1.061 . . . . 0.0 109.665 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' C' ' 75' ' ' ALA . 84.2 mt -60.1 -39.45 86.21 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.77 -1.206 . . . . 0.0 108.358 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.98 -38.48 82.66 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.428 -1.42 . . . . 0.0 107.968 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -63.41 -26.6 68.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.486 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 42.5 tt0 -59.95 -43.4 95.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.98 79.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.86 -40.08 87.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.461 -0.775 . . . . 0.0 109.919 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -80.15 112.7 17.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.814 -1.179 . . . . 0.0 109.114 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.5 m120 -133.23 -72.25 0.51 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.866 . . . . 0.0 109.111 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 94.22 2.28 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -112.51 144.86 41.27 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.494 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.39 0.87 5.07 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -73.69 24.92 0.07 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.433 -1.039 . . . . 0.0 108.97 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.05 112.08 3.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.917 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.415 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 34.4 m-85 -113.95 11.75 17.89 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.73 -0.606 . . . . 0.0 110.592 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.415 ' HB3' HH22 ' A' ' 63' ' ' ARG . 10.7 ptp180 -120.67 21.6 11.46 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -143.9 151.19 39.5 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -107.2 58.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.063 -1.023 . . . . 0.0 108.505 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.76 157.92 42.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.603 -0.686 . . . . 0.0 109.847 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -127.2 133.37 50.29 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.434 HG23 ' O ' ' C' ' 68' ' ' THR . 5.2 t -98.36 119.85 37.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.231 -0.918 . . . . 0.0 111.125 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.576 HG23 ' O ' ' C' ' 69' ' ' THR . 10.1 t -116.79 119.04 34.17 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 85.1 t -122.03 93.01 48.8 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.9 62.62 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.252 0 C-N-CA 122.41 2.073 . . . . 0.0 112.452 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.7 t90 -69.97 130.47 89.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 108.771 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' C' ' 72' ' ' TRP . 95.1 Cg_exo -38.32 147.59 0.11 Allowed 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 121.35 1.367 . . . . 0.0 112.112 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CE1' ' B' ' 48' ' ' TYR . 65.3 t30 -130.49 -59.26 1.03 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 75' ' ' ALA . . . . . 0.564 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -86.49 123.86 32.17 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.64 109.61 16.97 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 118.853 -1.139 . . . . 0.0 107.947 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -81.02 136.12 35.94 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.573 0.702 . . . . 0.0 109.424 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' C' ' 78' ' ' THR . 12.7 t -92.77 113.14 58.78 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 109.214 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -94.2 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.02 0 C-N-CA 121.555 1.503 . . . . 0.0 114.548 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.23 -44.51 2.38 Favored 'General case' 0 N--CA 1.507 2.413 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.5 p90 -59.86 -50.12 75.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.117 -1.614 . . . . 0.0 112.472 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.615 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 2.0 t-20 -71.03 -40.46 71.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.041 -1.662 . . . . 0.0 110.681 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.043 -1.036 . . . . 0.0 110.262 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.997 -1.064 . . . . 0.0 109.009 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.402 HG23 ' O ' ' C' ' 81' ' ' TRP . 81.5 p -69.99 -39.97 75.6 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.261 -0.899 . . . . 0.0 110.069 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.426 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 43.6 t-105 -67.45 -39.92 85.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.884 -1.135 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -60.19 -40.05 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.681 -1.262 . . . . 0.0 108.606 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.87 -40.85 96.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 108.443 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.505 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.3 t90 -60.18 -49.88 75.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.36 -0.838 . . . . 0.0 109.1 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.24 -41.97 98.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.393 -0.817 . . . . 0.0 109.229 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.905 . . . . 0.0 110.237 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.09 -41.26 92.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.92 -40.81 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.75 -44.29 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.499 -0.751 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -67.21 -40.04 86.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.812 -1.18 . . . . 0.0 109.604 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.93 -40.13 83.4 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 108.941 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.33 -49.21 78.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.314 -0.866 . . . . 0.0 109.121 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.13 -42.33 98.35 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.358 -0.839 . . . . 0.0 109.528 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -61.96 -40.53 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.73 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.324 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 70.2 p -62.14 -41.79 98.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.48 81.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.332 -0.855 . . . . 0.0 109.171 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.05 -47.34 86.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.496 -0.753 . . . . 0.0 109.529 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' C' ' 18' ' ' LEU . 85.1 mt -59.97 -41.96 93.12 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.225 -0.922 . . . . 0.0 109.354 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 -48.78 80.26 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.187 -0.946 . . . . 0.0 109.288 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.56 -41.94 95.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.429 -0.795 . . . . 0.0 109.305 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.94 94.6 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.374 -0.829 . . . . 0.0 109.296 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -60.05 -46.61 88.95 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.129 . . . . 0.0 109.502 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.21 -49.7 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.203 -0.935 . . . . 0.0 109.518 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 110' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' B' ' 16' ' ' GLN . 14.6 tt0 -68.56 -40.23 80.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.254 -0.903 . . . . 0.0 109.79 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -60.08 -49.19 78.61 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.155 -0.966 . . . . 0.0 109.326 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.27 -41.08 98.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.911 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -62.87 -39.99 96.12 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.552 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.66 -40.24 84.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.887 -1.133 . . . . 0.0 109.502 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.8 -40.06 76.2 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 108.617 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -59.88 -48.61 80.99 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -40.33 92.24 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.221 -0.925 . . . . 0.0 109.434 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -41.71 92.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.397 -0.814 . . . . 0.0 109.87 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -61.18 -42.35 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.063 -1.023 . . . . 0.0 109.844 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.251 -0.906 . . . . 0.0 109.463 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.469 HD13 ' NH1' ' C' ' 4' ' ' ARG . 97.6 mt -59.82 -48.96 79.59 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.56 58.99 0.75 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.5 p . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 93.1 mt-30 -70.37 144.75 51.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 109.037 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -89.65 60.67 5.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.069 -1.019 . . . . 0.0 109.194 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -64.01 -39.99 95.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.43 -0.794 . . . . 0.0 109.284 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 5.0 t -59.94 -42.78 94.75 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.497 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 62.6 tp -66.51 -40.87 89.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.056 -1.028 . . . . 0.0 109.28 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.18 -39.76 87.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.475 -0.765 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.0 86.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.124 -0.985 . . . . 0.0 108.644 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.07 43.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.0 -47.73 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.206 -1.173 . . . . 0.0 109.765 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.03 -41.99 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 108.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' HE22 ' B' ' 110' ' ' GLN . 60.3 tt0 -61.73 -40.3 94.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.602 -0.686 . . . . 0.0 109.589 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.05 -41.62 92.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.23 -40.99 92.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.124 -0.985 . . . . 0.0 108.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.73 -42.5 97.41 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.447 -0.783 . . . . 0.0 109.239 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -64.48 -41.19 96.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.279 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.21 -43.58 98.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 109.04 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.05 -43.74 95.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.87 . . . . 0.0 109.064 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 58.6 t0 -60.09 -44.97 94.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 109.544 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.09 -39.94 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.233 -0.917 . . . . 0.0 109.372 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -40.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 108.791 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.0 -43.05 95.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.807 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 11.0 mpt_? -60.06 -40.96 91.27 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.96 . . . . 0.0 109.348 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.26 -39.94 88.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.967 -1.083 . . . . 0.0 109.262 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.03 -47.77 84.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 108.974 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.8 -41.99 99.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.329 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.16 -40.56 90.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.416 -0.803 . . . . 0.0 109.658 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.7 -40.42 92.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.134 -0.978 . . . . 0.0 109.917 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.5 mt -62.75 -40.09 96.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.044 -1.035 . . . . 0.0 109.616 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.1 p -63.65 -40.02 95.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.079 -1.013 . . . . 0.0 109.906 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.21 -40.0 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.281 -0.887 . . . . 0.0 109.136 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -59.98 -43.4 95.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.8 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.28 80.34 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 119.645 -1.264 . . . . 0.0 110.233 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -60.05 -49.98 75.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -1.213 . . . . 0.0 109.949 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.744 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.92 -41.53 91.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.52 -39.97 89.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.024 -1.048 . . . . 0.0 109.382 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.96 -41.29 91.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.194 -0.941 . . . . 0.0 109.961 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.761 -1.212 . . . . 0.0 108.116 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.494 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 31.9 mtt-85 -63.68 -40.01 95.75 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -40.15 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.453 -0.779 . . . . 0.0 109.303 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.8 p -60.06 -39.92 87.68 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.989 -1.07 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.98 85.71 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.784 -1.197 . . . . 0.0 109.709 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.77 -41.06 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.243 -0.91 . . . . 0.0 111.248 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.57 -39.06 92.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.597 -1.314 . . . . 0.0 108.444 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.03 -45.15 93.75 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.185 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 49.8 m-85 -65.53 -39.41 91.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.0 -1.062 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.88 -38.51 82.4 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.06 -39.9 87.6 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.05 -39.09 84.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.37 -0.831 . . . . 0.0 109.349 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.652 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -59.95 -39.96 87.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.15 . . . . 0.0 109.102 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.755 -1.216 . . . . 0.0 108.161 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -59.93 -39.74 86.52 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.848 . . . . 0.0 108.963 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -69.46 118.48 12.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.044 -1.035 . . . . 0.0 108.756 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.535 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 32.6 m120 -133.63 -64.75 0.7 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.287 -0.883 . . . . 0.0 110.33 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.61 118.03 4.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -0.96 . . . . 0.0 110.01 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.785 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.7 m95 -100.76 129.57 46.67 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 63.73 21.77 65.51 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.72 23.45 0.16 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.598 -1.53 . . . . 0.0 108.688 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.22 111.24 2.39 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.443 -0.786 . . . . 0.0 109.202 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CD2' ' NE2' ' B' ' 64' ' ' GLN . 34.1 m-85 -121.38 11.59 10.74 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.368 -0.832 . . . . 0.0 110.358 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.74 25.16 2.18 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.449 ' NE2' ' CD2' ' C' ' 62' ' ' PHE . 31.6 mt-30 -143.66 152.62 41.57 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.75 57.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.0 108.622 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.04 158.14 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.513 -0.742 . . . . 0.0 110.019 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.48 133.61 47.37 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -90.35 112.93 24.69 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.56 -1.337 . . . . 0.0 110.179 -178.51 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 69' ' ' THR . 10.1 t -112.69 122.0 46.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.535 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 70.0 t -125.44 84.32 60.19 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.581 -0.699 . . . . 0.0 109.582 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.56 63.53 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.498 2.132 . . . . 0.0 110.881 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 25.4 t90 -67.18 133.86 93.51 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.476 -0.765 . . . . 0.0 109.094 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 79.4 Cg_exo -38.8 149.19 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.662 1.575 . . . . 0.0 111.042 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.561 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.2 OUTLIER -130.3 -60.62 1.0 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.232 -0.917 . . . . 0.0 109.441 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.54 124.59 36.68 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.268 -0.895 . . . . 0.0 108.897 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.41 108.08 14.72 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.88 135.83 36.53 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.766 0.793 . . . . 0.0 110.33 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 78' ' ' THR . 6.7 t -90.26 115.21 63.53 Favored Pre-proline 0 N--CA 1.49 1.565 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -92.21 -47.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.691 1.594 . . . . 0.0 113.615 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.12 -44.27 2.29 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.19 93.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.325 -1.485 . . . . 0.0 113.272 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.566 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -76.31 -50.06 15.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.213 -1.555 . . . . 0.0 110.773 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.9 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.058 -1.026 . . . . 0.0 110.223 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.874 -1.141 . . . . 0.0 109.411 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 81' ' ' TRP . 60.7 p -68.89 -40.02 79.42 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.209 -0.932 . . . . 0.0 109.706 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -66.84 -39.91 87.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 109.189 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.0 -41.78 92.82 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.966 -1.084 . . . . 0.0 108.358 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.35 -41.54 97.24 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.951 . . . . 0.0 108.912 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.527 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.3 t90 -59.96 -49.92 75.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.396 -0.815 . . . . 0.0 109.752 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.08 -41.42 96.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.104 -0.998 . . . . 0.0 109.526 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.87 -40.86 96.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.99 -1.069 . . . . 0.0 110.444 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.21 -40.62 90.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.9 -1.125 . . . . 0.0 109.76 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.21 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 108.94 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.9 -47.62 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.432 -0.793 . . . . 0.0 110.201 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -61.69 -40.89 96.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.012 -1.055 . . . . 0.0 109.709 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.41 -40.25 81.33 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.181 -0.949 . . . . 0.0 109.151 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.66 -45.04 95.71 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.219 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.68 -40.46 96.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.26 -0.9 . . . . 0.0 109.446 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.91 -41.76 95.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.248 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.91 -48.03 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.329 -0.857 . . . . 0.0 109.366 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -59.98 -42.64 94.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.05 75.25 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.284 -0.885 . . . . 0.0 109.34 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.41 -44.27 97.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.234 -0.916 . . . . 0.0 109.396 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.8 -42.02 96.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.4 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -50.05 75.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.136 -0.977 . . . . 0.0 109.602 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.73 -42.8 98.04 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.282 -0.886 . . . . 0.0 109.254 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.18 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.387 -0.82 . . . . 0.0 109.754 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.96 -46.27 89.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.01 -49.15 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.235 -0.916 . . . . 0.0 109.303 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.403 HE22 ' HB3' ' C' ' 12' ' ' GLN . 62.4 tt0 -68.56 -39.98 80.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.196 -0.94 . . . . 0.0 110.233 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.0 -50.06 75.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.099 -1.0 . . . . 0.0 109.993 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.1 -39.92 96.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.64 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -64.22 -40.73 96.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.196 -0.94 . . . . 0.0 109.825 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.82 -44.89 95.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.082 . . . . 0.0 109.432 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.19 -41.18 94.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.226 -0.921 . . . . 0.0 109.016 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.95 -49.39 77.86 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.0 109.683 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.76 -40.03 90.98 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.171 -0.955 . . . . 0.0 109.458 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.84 -41.62 96.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.9 mt-30 -60.05 -41.2 91.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.173 -0.954 . . . . 0.0 109.816 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.19 -40.05 88.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.116 -0.99 . . . . 0.0 108.959 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.94 -48.17 82.8 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -116.75 57.89 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.496 1.836 0 O-C-N 120.996 -1.065 . . . . 0.0 109.059 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 93.0 mt-30 -70.1 144.79 52.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -89.74 60.77 5.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.194 -0.941 . . . . 0.0 109.078 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.06 -40.0 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.536 -0.728 . . . . 0.0 109.203 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.0 t -59.99 -42.77 94.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.194 -0.941 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 5' ' ' THR . 62.7 tp -66.44 -40.77 89.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.96 -1.087 . . . . 0.0 109.254 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.27 -39.94 88.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.509 -0.745 . . . . 0.0 109.832 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.02 85.05 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.018 -1.051 . . . . 0.0 108.634 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.11 -50.0 43.03 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.04 -47.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -1.182 . . . . 0.0 109.814 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.06 -41.89 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 108.22 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.87 -40.17 94.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.59 -0.694 . . . . 0.0 109.668 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.05 -41.71 92.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.544 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.36 -41.05 92.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.46 -42.69 96.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.379 -0.826 . . . . 0.0 109.152 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.4 -41.03 96.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.388 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.49 -43.47 98.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 108.976 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.1 -43.75 95.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.852 . . . . 0.0 109.002 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 58.3 t0 -60.03 -45.06 94.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.283 -0.886 . . . . 0.0 109.702 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.03 -39.96 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.223 -0.923 . . . . 0.0 109.294 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -40.61 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.188 -0.945 . . . . 0.0 108.801 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.02 -42.91 95.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.612 -0.68 . . . . 0.0 109.671 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 11.1 mpt_? -60.1 -40.87 91.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.304 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.38 -39.98 89.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.972 -1.08 . . . . 0.0 109.347 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.13 -47.74 84.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -62.75 -41.98 99.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.39 -40.26 96.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.297 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.37 -40.45 90.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.382 -0.824 . . . . 0.0 109.654 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.76 -40.43 92.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.017 -1.052 . . . . 0.0 109.952 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.507 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.0 mt -62.84 -39.97 96.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.05 -1.031 . . . . 0.0 109.628 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -63.49 -40.06 96.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.091 -1.006 . . . . 0.0 109.922 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.19 -40.03 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 109.181 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.94 -43.43 94.96 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 110.113 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.44 78.56 Favored Glycine 0 N--CA 1.487 2.069 0 C-N-CA 119.668 -1.253 . . . . 0.0 110.223 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.3 m -60.01 -49.91 75.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -1.194 . . . . 0.0 110.0 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.22 -40.01 88.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 0.0 109.722 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.886 . . . . 0.0 109.794 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.45 -40.02 89.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.061 -1.024 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.03 -41.36 92.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 109.897 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -59.99 -40.29 88.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.665 -1.272 . . . . 0.0 108.114 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.475 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 32.3 mtt-85 -63.77 -39.99 95.6 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.13 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.431 -0.793 . . . . 0.0 109.305 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 79.2 p -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.977 -1.077 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.768 -1.207 . . . . 0.0 109.693 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.82 -40.95 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.225 -0.922 . . . . 0.0 111.255 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.88 -38.8 92.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.527 -1.358 . . . . 0.0 108.45 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.07 -45.09 94.06 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.167 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 49.2 m-85 -65.57 -39.53 91.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.983 -1.073 . . . . 0.0 109.971 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 mt -59.76 -38.59 82.2 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.03 -1.044 . . . . 0.0 108.781 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.03 -39.94 87.62 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.04 -39.12 84.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.391 -0.818 . . . . 0.0 109.342 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.649 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.8 -40.11 87.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.855 -1.153 . . . . 0.0 109.067 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.29 84.02 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.819 -1.176 . . . . 0.0 108.16 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.379 -0.825 . . . . 0.0 108.852 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 118.54 12.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.961 -1.087 . . . . 0.0 108.778 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 32.8 m120 -133.65 -64.65 0.7 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.35 -0.844 . . . . 0.0 110.321 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.785 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.57 117.99 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.256 -0.902 . . . . 0.0 110.036 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.791 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.5 m95 -100.72 129.63 46.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.297 -0.877 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.71 21.9 65.61 Favored Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.667 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -76.77 23.44 0.17 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.489 -1.595 . . . . 0.0 108.685 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.13 111.46 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.442 -0.786 . . . . 0.0 109.252 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.448 ' CD2' ' NE2' ' C' ' 64' ' ' GLN . 34.3 m-85 -121.69 11.49 10.51 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 121.374 -0.829 . . . . 0.0 110.411 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.73 25.3 2.17 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.426 ' NE2' ' CD2' ' A' ' 62' ' ' PHE . 31.7 mt-30 -143.88 152.79 41.6 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -102.01 57.27 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.03 -1.044 . . . . 0.0 108.619 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.89 158.31 40.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.64 133.54 47.18 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.425 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -90.39 112.96 24.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.603 -1.31 . . . . 0.0 110.012 -178.607 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.525 HG23 ' O ' ' B' ' 69' ' ' THR . 10.0 t -112.86 122.01 46.38 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.529 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 67.1 t -125.28 84.44 59.67 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.485 -0.759 . . . . 0.0 109.7 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.78 63.58 6.41 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.566 2.177 . . . . 0.0 110.958 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' B' ' 73' ' ' PRO . 25.3 t90 -67.22 133.95 93.43 Favored Pre-proline 0 N--CA 1.487 1.408 0 O-C-N 121.535 -0.728 . . . . 0.0 109.091 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' B' ' 72' ' ' TRP . 80.7 Cg_exo -39.02 149.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 121.657 1.571 . . . . 0.0 110.926 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -130.2 -60.45 1.01 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.287 -0.883 . . . . 0.0 109.48 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 124.6 36.72 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.195 -0.941 . . . . 0.0 108.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.4 107.74 14.43 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -79.59 135.92 36.72 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.779 0.8 . . . . 0.0 110.253 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.558 HG23 ' O ' ' B' ' 78' ' ' THR . 6.6 t -90.3 115.31 63.77 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -92.3 -46.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 121.678 1.585 . . . . 0.0 113.715 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -122.17 -44.33 2.28 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.05 94.16 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.363 -1.461 . . . . 0.0 113.142 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.577 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -76.58 -49.95 15.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.186 -1.571 . . . . 0.0 110.837 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.0 -49.99 75.51 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.029 -1.044 . . . . 0.0 110.175 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.01 -47.07 87.36 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.863 -1.148 . . . . 0.0 109.408 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 81' ' ' TRP . 60.1 p -68.91 -39.92 79.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.236 -0.915 . . . . 0.0 109.625 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -66.68 -40.02 88.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.866 -1.146 . . . . 0.0 109.208 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.08 -41.75 93.12 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.882 -1.136 . . . . 0.0 108.345 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.45 -41.52 97.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.96 . . . . 0.0 108.902 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.502 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.3 t90 -60.02 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.61 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -60.84 -41.78 96.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.073 -1.017 . . . . 0.0 109.449 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.65 -40.85 96.36 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.125 -0.985 . . . . 0.0 110.469 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.3 -40.7 91.46 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.12 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.147 -0.97 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.461 -0.774 . . . . 0.0 110.192 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -61.67 -41.12 97.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.952 -1.092 . . . . 0.0 109.667 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.18 -40.54 82.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.177 -0.952 . . . . 0.0 109.104 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.23 -45.64 93.72 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.193 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.12 -41.0 99.25 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.18 -42.29 96.75 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.187 -0.946 . . . . 0.0 109.192 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.66 -47.79 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.353 -0.842 . . . . 0.0 109.379 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 38.5 p -60.33 -42.39 95.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 109.462 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.98 75.45 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.367 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.41 -44.01 97.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.321 -0.862 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.1 -41.88 97.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -49.98 75.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.149 -0.969 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.89 -42.52 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.179 -0.951 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.99 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.32 -0.863 . . . . 0.0 109.797 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.93 -46.21 90.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.142 -0.974 . . . . 0.0 109.572 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.1 -49.04 85.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.184 -0.948 . . . . 0.0 109.306 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.426 HE22 ' HB3' ' A' ' 12' ' ' GLN . 62.4 tt0 -68.67 -40.05 80.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.128 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -49.93 75.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.006 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.08 -40.04 96.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.122 -0.986 . . . . 0.0 109.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -64.27 -40.46 96.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.855 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.29 -44.22 97.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.953 -1.092 . . . . 0.0 109.431 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 55.3 ttp -65.83 -40.98 92.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.241 -0.912 . . . . 0.0 109.014 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.95 -49.34 78.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.38 -0.825 . . . . 0.0 109.798 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.96 91.36 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.266 -0.896 . . . . 0.0 109.543 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -41.78 95.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.889 . . . . 0.0 109.485 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.8 mt-30 -60.03 -41.21 91.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.2 -39.95 88.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.913 . . . . 0.0 108.938 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.04 -48.25 82.48 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -116.67 57.81 0.77 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.497 1.889 0 O-C-N 120.984 -1.073 . . . . 0.0 109.054 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -70.01 144.59 52.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 109.14 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -89.39 60.63 5.31 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.161 -0.962 . . . . 0.0 109.213 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.03 -39.97 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 109.262 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.498 HG23 ' N ' ' C' ' 6' ' ' LEU . 4.9 t -60.03 -42.82 95.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.268 -0.895 . . . . 0.0 109.43 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.498 ' N ' HG23 ' C' ' 5' ' ' THR . 61.8 tp -66.29 -40.98 90.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 109.271 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.23 -39.71 87.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.541 -0.724 . . . . 0.0 109.892 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.96 86.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.064 -1.022 . . . . 0.0 108.638 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.0 -50.02 43.58 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.97 -47.79 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.254 -1.144 . . . . 0.0 109.804 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.93 -42.09 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.932 -1.105 . . . . 0.0 108.259 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.403 ' HB3' HE22 ' A' ' 110' ' ' GLN . 60.4 tt0 -61.49 -40.44 94.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.584 -0.698 . . . . 0.0 109.654 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.01 -41.57 92.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.672 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -60.27 -40.88 91.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.069 -1.019 . . . . 0.0 108.929 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.87 -42.48 97.96 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.481 -0.762 . . . . 0.0 109.117 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.401 ' O ' HG23 ' C' ' 20' ' ' VAL . 77.5 mt-30 -64.46 -41.02 96.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.181 -0.949 . . . . 0.0 109.372 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.59 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.133 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.0 -43.8 94.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.355 -0.841 . . . . 0.0 109.014 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 58.4 t0 -59.99 -45.06 93.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.282 -0.886 . . . . 0.0 109.637 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 16' ' ' GLN . 89.9 t -60.0 -40.09 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.859 . . . . 0.0 109.339 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.57 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.293 -0.88 . . . . 0.0 108.756 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.05 -43.02 95.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.625 -0.672 . . . . 0.0 109.714 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 11.0 mpt_? -60.08 -41.05 91.61 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.263 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.2 -40.05 88.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.013 -1.054 . . . . 0.0 109.272 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.06 -47.85 84.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.348 -0.845 . . . . 0.0 108.989 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.75 -41.78 99.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.323 -0.861 . . . . 0.0 109.643 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.52 -40.26 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.183 -0.948 . . . . 0.0 109.28 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.23 -40.8 91.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.329 -0.857 . . . . 0.0 109.618 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -40.63 91.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.527 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.8 mt -62.55 -40.09 95.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 0.0 109.662 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.5 p -63.52 -40.0 95.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -0.958 . . . . 0.0 110.014 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.27 -39.95 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.0 -43.49 95.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 110.139 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -49.45 78.41 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.281 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.163 -1.198 . . . . 0.0 110.015 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.24 -40.03 88.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.678 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.0 -41.3 91.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 0.0 109.773 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.66 -40.04 90.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.998 -1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.01 -41.22 91.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 109.908 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 30.8 p -60.08 -40.23 88.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.728 -1.232 . . . . 0.0 108.152 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.508 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 31.5 mtt-85 -63.89 -40.02 95.54 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.1 -40.18 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.393 -0.817 . . . . 0.0 109.166 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -60.01 -40.0 87.71 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.037 -1.039 . . . . 0.0 109.053 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.632 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.77 -40.96 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.252 -0.905 . . . . 0.0 111.304 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.401 ' H ' ' HG2' ' C' ' 46' ' ' GLU . 8.3 pt-20 -62.91 -38.82 92.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.579 -1.326 . . . . 0.0 108.452 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.03 -45.07 94.02 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.234 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 49.2 m-85 -65.8 -39.3 90.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.09 -1.006 . . . . 0.0 110.015 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.84 -38.56 82.39 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.98 -39.98 87.59 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.03 -39.17 84.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.326 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.658 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.813 -1.179 . . . . 0.0 109.109 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.42 84.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.768 -1.207 . . . . 0.0 108.115 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.91 -39.76 86.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.0 108.86 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 mt -69.55 118.54 12.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 108.8 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 32.7 m120 -133.54 -64.5 0.71 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.394 -0.816 . . . . 0.0 110.43 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.791 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.79 117.88 4.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.105 -0.997 . . . . 0.0 110.008 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.816 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.0 m95 -100.59 129.6 46.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.331 -0.856 . . . . 0.0 110.109 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 63.8 21.8 65.67 Favored Glycine 0 N--CA 1.488 2.144 0 C-N-CA 119.983 -1.104 . . . . 0.0 110.682 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.465 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.8 23.63 0.16 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.583 -1.539 . . . . 0.0 108.708 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.27 111.06 2.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.424 -0.797 . . . . 0.0 109.229 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.449 ' CD2' ' NE2' ' A' ' 64' ' ' GLN . 34.6 m-85 -121.34 11.54 10.76 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.323 -0.86 . . . . 0.0 110.418 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.86 25.2 2.15 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' B' ' 62' ' ' PHE . 31.5 mt-30 -143.84 152.61 41.39 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -101.9 57.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.99 -1.069 . . . . 0.0 108.611 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.23 40.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.521 -0.737 . . . . 0.0 109.906 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -129.66 133.47 47.12 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.408 ' H ' HG22 ' C' ' 68' ' ' THR . 0.0 OUTLIER -90.17 113.02 24.72 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.643 -1.286 . . . . 0.0 110.272 -178.635 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.512 HG23 ' O ' ' C' ' 69' ' ' THR . 9.9 t -112.84 122.02 46.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.54 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 67.5 t -125.52 84.3 60.42 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.526 -0.734 . . . . 0.0 109.614 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.5 63.46 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.565 2.176 . . . . 0.0 110.836 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.7 t90 -67.12 134.0 93.64 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.97 149.43 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.136 0 C-N-CA 121.734 1.623 . . . . 0.0 110.944 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.2 OUTLIER -130.38 -60.59 1.0 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.246 -0.908 . . . . 0.0 109.413 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.24 124.48 36.34 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.409 -0.807 . . . . 0.0 108.974 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.39 107.75 14.43 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -79.66 135.95 36.68 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.806 0.812 . . . . 0.0 110.199 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.557 HG23 ' O ' ' C' ' 78' ' ' THR . 6.7 t -90.54 115.29 63.81 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -92.29 -47.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.034 0 C-N-CA 121.652 1.568 . . . . 0.0 113.617 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.18 -44.13 2.29 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -60.36 -44.89 95.14 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.381 -1.45 . . . . 0.0 113.142 -175.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.578 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -76.59 -49.94 15.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.213 -1.554 . . . . 0.0 110.775 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -60.09 -49.94 75.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -47.06 87.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.925 -1.109 . . . . 0.0 109.32 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.451 HG23 ' O ' ' C' ' 81' ' ' TRP . 60.0 p -68.94 -39.89 79.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.256 -0.902 . . . . 0.0 109.784 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -66.61 -39.98 88.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.89 -1.131 . . . . 0.0 109.177 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.03 -42.09 93.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.909 -1.119 . . . . 0.0 108.26 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.12 -41.55 96.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.212 -0.93 . . . . 0.0 108.859 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.507 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.3 t90 -59.95 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 109.668 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.14 -41.63 97.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -40.97 96.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.375 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.27 -40.57 90.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.874 -1.141 . . . . 0.0 109.75 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.03 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.146 -0.971 . . . . 0.0 109.003 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.96 -47.58 85.2 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.391 -0.818 . . . . 0.0 110.194 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -61.83 -40.72 96.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.08 . . . . 0.0 109.623 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.47 -40.38 81.03 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.131 -0.981 . . . . 0.0 109.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.54 -45.29 94.82 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.281 -0.887 . . . . 0.0 109.238 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.33 -40.84 98.42 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.311 -0.868 . . . . 0.0 109.48 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.58 -42.23 95.76 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 0.0 109.127 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.46 -48.25 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.283 -0.886 . . . . 0.0 109.327 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -42.28 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -0.986 . . . . 0.0 109.406 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.93 75.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.26 -0.9 . . . . 0.0 109.363 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.43 -44.08 97.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.502 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.1 -41.78 97.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.157 -0.964 . . . . 0.0 109.591 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.84 -42.66 98.22 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.259 -0.901 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.97 87.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.314 -0.866 . . . . 0.0 109.745 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.0 -46.35 89.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.003 -1.061 . . . . 0.0 109.546 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.07 -49.0 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.299 -0.876 . . . . 0.0 109.316 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.72 -40.06 80.13 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.202 -0.936 . . . . 0.0 110.197 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -60.01 -49.87 75.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.031 -1.043 . . . . 0.0 110.036 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.19 -40.04 96.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.993 . . . . 0.0 109.618 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.12 -40.45 96.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.832 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.06 -44.52 96.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.004 -1.06 . . . . 0.0 109.47 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 55.0 ttp -65.56 -41.32 93.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.294 -0.879 . . . . 0.0 109.009 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.95 -49.05 79.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.405 -0.809 . . . . 0.0 109.733 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -40.2 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.56 -41.64 94.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.434 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -60.07 -41.43 92.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.811 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -59.95 -40.06 87.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.97 -48.33 82.16 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -116.64 58.08 0.77 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.479 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 m . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.033 . . . . 0.0 109.054 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.63 144.21 49.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.511 -0.743 . . . . 0.0 109.533 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -89.57 59.64 4.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 108.967 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.16 -40.0 95.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.444 -0.785 . . . . 0.0 109.518 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.05 -43.36 95.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.152 -0.968 . . . . 0.0 109.183 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' A' ' 5' ' ' THR . 63.5 tp -63.65 -41.72 98.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 0.0 108.411 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.88 -39.73 92.94 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.698 -0.626 . . . . 0.0 109.656 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.57 91.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.065 -1.022 . . . . 0.0 108.449 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.93 -44.35 68.59 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.11 -50.0 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -1.183 . . . . 0.0 110.541 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.15 -44.33 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.807 -1.183 . . . . 0.0 109.211 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.42 -40.0 89.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.91 -41.04 90.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.094 -1.004 . . . . 0.0 109.497 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.81 -41.61 96.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.047 -1.033 . . . . 0.0 109.379 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -46.03 90.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.409 -0.807 . . . . 0.0 109.515 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.89 -41.9 96.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 109.761 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.77 -40.46 97.36 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.186 -0.946 . . . . 0.0 109.404 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD11 HD23 ' A' ' 104' ' ' LEU . 63.2 tp -62.67 -41.62 99.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.175 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.98 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.19 -40.21 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.246 -0.908 . . . . 0.0 109.507 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -43.62 92.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.87 -40.26 94.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.49 -0.756 . . . . 0.0 109.07 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.3 mmt180 -60.68 -40.47 92.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.174 -0.954 . . . . 0.0 109.279 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.78 -39.95 90.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.172 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.05 -46.94 87.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.393 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.1 -40.42 94.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.155 -0.965 . . . . 0.0 109.349 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.77 -39.94 94.44 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.436 -0.79 . . . . 0.0 109.198 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.14 -40.33 89.44 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.156 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -40.18 91.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -0.987 . . . . 0.0 109.653 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.0 mt -63.25 -40.07 96.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.454 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.46 -40.07 95.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.964 -1.085 . . . . 0.0 109.301 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.72 -40.02 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.466 -0.771 . . . . 0.0 109.061 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.97 -43.62 94.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.353 -0.842 . . . . 0.0 110.122 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.97 -47.5 90.39 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.19 -50.03 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.253 . . . . 0.0 109.835 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.69 -40.23 91.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.1 -40.17 88.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.106 -0.996 . . . . 0.0 109.688 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.65 -40.06 90.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.9 -41.33 91.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -60.77 -40.57 93.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.899 -1.126 . . . . 0.0 109.036 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.536 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 33.9 mtt-85 -68.49 -39.98 81.12 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.445 -0.785 . . . . 0.0 109.081 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.98 -41.72 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.356 -0.84 . . . . 0.0 108.885 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.0 p -60.45 -39.93 89.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.069 -1.019 . . . . 0.0 109.301 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.65 94.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.155 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.97 -39.59 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.07 87.49 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.188 -0.945 . . . . 0.0 109.281 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.18 -43.48 95.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 109.378 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 60.5 m-85 -67.06 -40.01 86.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 109.671 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 82.9 mt -59.99 -39.98 87.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.751 -1.218 . . . . 0.0 108.05 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.61 -34.88 69.74 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.419 -1.426 . . . . 0.0 107.64 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -64.4 -28.24 69.55 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 6.5 tt0 -57.3 -45.93 83.68 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.94 87.42 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.277 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.48 117.33 16.18 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.137 -0.977 . . . . 0.0 108.861 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 34.5 m120 -133.25 -71.1 0.52 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.428 -0.795 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.615 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.1 117.38 4.21 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 109.56 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.648 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 94.2 m95 -101.14 131.41 47.1 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.318 -0.864 . . . . 0.0 111.181 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 61.55 25.05 64.75 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.85 23.75 0.16 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.607 -1.525 . . . . 0.0 109.431 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.18 114.12 2.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.067 -1.021 . . . . 0.0 109.784 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -122.2 11.6 10.16 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.275 -0.891 . . . . 0.0 108.815 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.3 2.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -147.37 152.52 38.31 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 t -101.97 58.86 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.67 158.32 43.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.506 -0.746 . . . . 0.0 109.816 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -129.68 134.09 47.46 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 68' ' ' THR . 7.7 t -89.91 111.53 22.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 109.109 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.02 43.88 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.473 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 60.9 t -125.78 81.79 65.0 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 121.453 -0.779 . . . . 0.0 109.518 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -85.51 60.12 5.19 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.892 2.394 . . . . 0.0 111.628 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.532 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 29.8 t90 -71.78 131.47 85.88 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.528 -0.732 . . . . 0.0 109.59 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.532 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.0 Cg_exo -40.9 149.81 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.415 1.41 . . . . 0.0 110.978 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 9.4 t-20 -130.42 -43.5 1.15 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.142 -0.974 . . . . 0.0 109.564 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.35 125.16 39.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.286 -0.884 . . . . 0.0 109.075 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -81.7 108.31 15.14 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.93 134.56 34.66 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.541 0.686 . . . . 0.0 110.165 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 78' ' ' THR . 5.7 t -93.61 113.39 60.17 Favored Pre-proline 0 N--CA 1.495 1.793 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.11 -48.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.575 1.517 . . . . 0.0 113.71 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -121.39 -44.04 2.38 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.05 -50.18 74.74 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.306 -1.496 . . . . 0.0 112.806 -175.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.2 t30 -70.25 -43.79 69.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.922 -1.737 . . . . 0.0 109.938 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -60.06 -50.12 74.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 111.104 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.42 -40.17 95.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.86 -1.15 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.9 p -70.14 -39.97 75.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.687 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.479 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -68.26 -39.94 82.08 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.35 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.08 -42.03 93.73 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.641 -1.287 . . . . 0.0 108.585 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.14 -42.81 95.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -60.03 -49.87 75.97 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.84 -40.03 95.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.109 -0.995 . . . . 0.0 109.37 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -61.18 -42.45 98.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.145 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.01 -43.5 95.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.825 -1.172 . . . . 0.0 108.34 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.01 -41.89 87.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.17 -44.8 94.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.281 -0.887 . . . . 0.0 110.614 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.26 -40.05 86.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.86 -1.15 . . . . 0.0 109.734 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.47 -39.94 81.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.056 -1.028 . . . . 0.0 108.995 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 101' ' ' THR . 86.4 tt0 -60.22 -45.07 94.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.58 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -46.26 90.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 0.0 109.714 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.461 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -60.02 -45.61 92.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.216 -0.928 . . . . 0.0 109.502 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -46.92 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.766 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 97' ' ' GLU . 75.5 p -59.95 -42.47 94.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.913 -1.117 . . . . 0.0 109.103 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -50.0 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.326 -0.859 . . . . 0.0 109.601 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.03 -43.81 95.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.846 . . . . 0.0 109.543 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.446 HD23 HD11 ' A' ' 18' ' ' LEU . 82.7 mt -61.18 -42.71 99.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 0.0 109.535 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.35 -43.49 96.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.14 -0.975 . . . . 0.0 109.55 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -68.16 -39.94 82.47 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.149 -0.969 . . . . 0.0 108.862 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.47 91.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.03 -47.6 85.19 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.051 -1.031 . . . . 0.0 109.37 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.99 -50.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.193 -0.942 . . . . 0.0 109.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.43 -40.15 85.47 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.411 -0.805 . . . . 0.0 110.249 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -59.92 -49.73 76.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.916 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.042 -1.036 . . . . 0.0 109.563 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.2 -39.86 89.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 109.842 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.1 -40.77 94.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.859 -1.15 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.04 -40.01 75.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.04 . . . . 0.0 108.891 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.08 -44.18 94.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 0.0 109.19 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.16 -40.1 88.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.028 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.01 -40.1 88.1 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.4 mt-30 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.0 109.686 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.99 -39.97 87.56 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.15 -0.969 . . . . 0.0 109.724 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.95 -47.57 85.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.56 61.18 1.32 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.081 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.26 144.34 50.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.458 -0.777 . . . . 0.0 109.486 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -89.53 59.68 4.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.95 . . . . 0.0 108.931 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -64.25 -40.04 95.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.825 . . . . 0.0 109.531 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.532 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.8 t -60.15 -42.75 95.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.23 -0.919 . . . . 0.0 109.324 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.532 ' N ' HG23 ' B' ' 5' ' ' THR . 63.8 tp -64.49 -41.03 96.7 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.27 -39.82 94.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.641 -0.662 . . . . 0.0 109.597 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.44 92.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.066 -1.021 . . . . 0.0 108.476 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -44.51 69.29 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.2 -49.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.289 -1.124 . . . . 0.0 110.518 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.09 -44.29 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.72 -1.238 . . . . 0.0 109.126 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -60.25 -40.06 88.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.331 -0.856 . . . . 0.0 109.76 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -41.34 91.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.217 -0.927 . . . . 0.0 109.488 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.57 -41.64 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.07 -45.88 91.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.0 109.411 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.87 -41.85 96.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.75 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.89 -41.04 99.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.31 -0.869 . . . . 0.0 109.341 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.449 HD11 HD23 ' B' ' 104' ' ' LEU . 62.6 tp -62.14 -41.66 98.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.14 -0.975 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -48.27 82.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.374 -0.829 . . . . 0.0 109.967 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.75 -39.98 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.35 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -43.43 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.09 -40.06 94.58 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.544 -0.723 . . . . 0.0 109.063 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.493 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.4 mmt180 -60.92 -40.41 93.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 109.304 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.7 -39.98 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.862 . . . . 0.0 109.192 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -60.02 -47.01 87.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.13 -40.33 94.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.079 -1.013 . . . . 0.0 109.332 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.74 -40.05 94.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.383 -0.823 . . . . 0.0 109.115 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.04 -40.33 89.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.383 -0.823 . . . . 0.0 109.26 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.79 -40.27 92.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.579 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.544 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.8 mt -63.27 -39.99 96.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.3 p -64.3 -40.02 95.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.982 -1.074 . . . . 0.0 109.299 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.07 -39.96 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.432 -0.792 . . . . 0.0 109.141 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -60.01 -43.36 95.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.382 -0.824 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.93 -47.76 89.03 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.04 -49.94 75.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -1.207 . . . . 0.0 109.93 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -60.9 -40.21 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.974 -1.079 . . . . 0.0 109.952 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.08 -40.11 88.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 109.581 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.69 -39.95 90.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.16 -0.963 . . . . 0.0 109.821 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.474 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' B' ' 43' ' ' THR . 65.7 p -60.64 -40.8 93.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.891 -1.131 . . . . 0.0 109.032 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 33.1 mtt-85 -68.34 -40.03 81.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.04 -41.76 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.935 . . . . 0.0 108.767 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 55.4 p -60.31 -40.03 89.08 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.07 -1.019 . . . . 0.0 109.377 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.69 94.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 0.0 109.12 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.97 -39.54 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.71 -40.07 86.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.273 -0.892 . . . . 0.0 109.264 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -60.37 -43.07 96.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.897 -1.127 . . . . 0.0 109.523 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 60.4 m-85 -67.48 -40.03 85.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 109.683 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' B' ' 52' ' ' GLN . 83.5 mt -60.01 -39.92 87.46 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.779 -1.201 . . . . 0.0 107.995 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.75 -34.84 69.97 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.452 -1.405 . . . . 0.0 107.644 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -64.36 -28.42 69.68 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 6.5 tt0 -56.96 -46.02 82.45 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.0 87.81 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.849 . . . . 0.0 109.196 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -74.46 117.23 16.04 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.122 -0.986 . . . . 0.0 108.849 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 35.2 m120 -133.08 -70.8 0.53 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.31 -0.869 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.648 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.22 117.25 4.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.29 -0.881 . . . . 0.0 109.578 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.64 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 94.0 m95 -101.2 131.57 47.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.29 -0.881 . . . . 0.0 111.16 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.58 24.98 64.71 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.97 23.71 0.17 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.651 -1.499 . . . . 0.0 109.456 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.08 114.34 2.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.159 -0.963 . . . . 0.0 109.725 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -122.42 11.66 10.01 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.33 -0.856 . . . . 0.0 108.835 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' B' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.16 2.77 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -147.12 152.59 38.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.055 -1.028 . . . . 0.0 108.235 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 t -101.95 58.73 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.63 158.16 43.11 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.507 -0.746 . . . . 0.0 109.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.49 134.09 47.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.574 HG23 ' O ' ' B' ' 68' ' ' THR . 7.8 t -89.9 111.72 22.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.744 -1.222 . . . . 0.0 109.127 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.12 120.94 43.51 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 61.4 t -125.72 81.75 64.83 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.463 -0.773 . . . . 0.0 109.522 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.55 60.14 5.16 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.888 2.392 . . . . 0.0 111.639 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.529 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 31.1 t90 -71.75 131.4 86.0 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.518 -0.739 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.529 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.4 Cg_exo -40.81 149.76 0.15 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.489 1.46 . . . . 0.0 110.852 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 9.4 t-20 -130.37 -43.23 1.16 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.158 -0.964 . . . . 0.0 109.546 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.33 125.18 39.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.842 . . . . 0.0 109.148 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -81.8 108.29 15.22 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -84.04 134.65 34.62 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.613 0.72 . . . . 0.0 110.161 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.567 HG23 ' O ' ' B' ' 78' ' ' THR . 5.8 t -93.62 113.38 60.15 Favored Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.596 -0.69 . . . . 0.0 109.186 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -90.3 -48.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.037 0 C-N-CA 121.506 1.471 . . . . 0.0 113.716 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -121.38 -44.26 2.37 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.01 -50.1 75.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.25 -1.531 . . . . 0.0 112.896 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.3 t30 -70.41 -43.75 69.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 119.937 -1.727 . . . . 0.0 109.914 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.96 -50.04 75.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.231 -0.918 . . . . 0.0 110.98 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.61 -40.24 95.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.806 -1.184 . . . . 0.0 109.969 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.2 p -70.06 -39.95 75.35 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.16 -0.963 . . . . 0.0 109.765 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.489 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.3 t-105 -68.08 -40.05 82.75 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.074 -1.016 . . . . 0.0 109.353 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.02 -42.16 93.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.732 -1.23 . . . . 0.0 108.531 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -42.86 95.56 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.1 t90 -59.96 -50.0 75.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.479 -0.763 . . . . 0.0 109.102 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.76 -40.27 96.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.309 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -60.75 -42.69 97.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.28 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.04 -43.36 95.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.904 -1.123 . . . . 0.0 108.406 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.06 -41.8 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.236 -0.915 . . . . 0.0 109.322 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.12 -44.84 94.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.462 -0.774 . . . . 0.0 110.633 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.3 -40.02 86.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.799 -1.188 . . . . 0.0 109.693 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.37 -40.11 81.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.058 -1.026 . . . . 0.0 109.008 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 109.582 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -46.01 90.87 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.211 -0.931 . . . . 0.0 109.704 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.7 t-20 -59.9 -45.89 91.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 109.541 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -46.85 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.197 -0.94 . . . . 0.0 109.82 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 75.9 p -59.95 -42.33 93.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.058 -1.026 . . . . 0.0 109.134 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -49.95 75.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.607 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.09 -43.64 95.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.601 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.449 HD23 HD11 ' B' ' 18' ' ' LEU . 83.2 mt -61.29 -42.98 99.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.17 -0.956 . . . . 0.0 109.417 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.1 -43.52 95.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.101 -0.999 . . . . 0.0 109.461 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.13 -40.02 82.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.208 -0.933 . . . . 0.0 109.053 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.66 91.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.222 -0.924 . . . . 0.0 109.659 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -47.73 84.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.018 -1.051 . . . . 0.0 109.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -59.97 -49.79 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.261 -0.9 . . . . 0.0 109.178 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.76 -39.96 84.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 110.249 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.04 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.179 -0.951 . . . . 0.0 109.741 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 0.5 OUTLIER -63.52 -40.06 96.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.053 . . . . 0.0 109.709 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.91 -39.96 91.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.239 -0.913 . . . . 0.0 109.826 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -60.85 -40.93 94.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.876 -1.14 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.96 -40.06 75.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 108.875 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.17 -44.19 95.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.798 . . . . 0.0 109.196 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.11 -0.994 . . . . 0.0 109.052 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.99 -40.16 88.19 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -60.07 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.216 -0.927 . . . . 0.0 109.719 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.99 -39.95 87.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 0.0 109.677 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.95 -47.62 85.04 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -126.76 61.19 1.33 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.879 -1.057 . . . . 0.0 109.072 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.73 144.56 49.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.477 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' C' ' 3' ' ' SER . 23.8 p -89.71 59.76 4.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.416 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.541 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.0 t -60.08 -43.02 95.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.279 -0.888 . . . . 0.0 109.241 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.541 ' N ' HG23 ' C' ' 5' ' ' THR . 63.0 tp -64.31 -41.32 96.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.112 -0.992 . . . . 0.0 108.393 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.01 -39.8 93.52 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.651 -0.656 . . . . 0.0 109.616 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.44 91.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.076 -1.015 . . . . 0.0 108.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -44.24 68.63 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.19 -50.02 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 110.426 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.16 -44.44 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 109.201 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.827 . . . . 0.0 109.841 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.108 -0.995 . . . . 0.0 109.446 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.24 -41.83 93.96 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.993 -1.067 . . . . 0.0 109.317 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.04 -46.11 90.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.402 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.73 -42.03 96.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.157 -0.964 . . . . 0.0 109.746 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -40.8 98.32 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.446 HD11 HD23 ' C' ' 104' ' ' LEU . 62.8 tp -62.35 -41.63 98.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.251 -0.906 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.02 -48.81 80.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.11 -40.1 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.0 109.466 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -43.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.74 -40.27 94.52 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.461 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.1 mmt180 -60.79 -40.78 93.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 109.164 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.52 -39.98 89.76 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.196 -0.94 . . . . 0.0 109.131 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.03 -47.12 87.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.0 109.459 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.99 -40.27 94.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 0.0 109.324 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.89 -40.0 94.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.402 -0.811 . . . . 0.0 109.014 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.93 -40.39 88.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.366 -0.834 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.64 -40.57 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.25 -0.907 . . . . 0.0 109.63 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.539 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.7 mt -62.89 -39.95 96.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.171 -0.955 . . . . 0.0 109.537 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.7 p -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.982 -1.074 . . . . 0.0 109.202 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.89 -40.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.305 -0.872 . . . . 0.0 109.188 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -60.06 -43.4 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 0.0 110.055 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -47.65 89.65 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.08 -50.0 75.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -1.204 . . . . 0.0 109.786 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -60.74 -40.31 91.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -59.98 -40.53 89.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.987 . . . . 0.0 109.576 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.2 -40.05 88.7 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 109.875 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.983 -1.073 . . . . 0.0 109.423 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -60.41 -40.86 92.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.884 -1.135 . . . . 0.0 109.053 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 33.0 mtt-85 -68.38 -39.96 81.55 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.32 -0.862 . . . . 0.0 109.136 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.96 -41.74 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.181 -0.949 . . . . 0.0 108.952 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 50.5 p -60.32 -40.02 89.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 109.305 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.39 94.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.16 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.98 -39.7 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.04 87.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.127 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.27 -43.41 96.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.053 -1.029 . . . . 0.0 109.342 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 60.5 m-85 -67.17 -40.02 86.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.9 . . . . 0.0 109.695 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' C' ' 52' ' ' GLN . 83.5 mt -59.92 -40.06 87.57 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.763 -1.211 . . . . 0.0 108.006 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.65 -34.82 69.75 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.416 -1.427 . . . . 0.0 107.67 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -64.45 -28.2 69.51 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 6.5 tt0 -57.31 -45.97 83.67 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.401 -0.812 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.61 117.3 16.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.008 -1.057 . . . . 0.0 108.848 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.481 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 34.9 m120 -133.32 -70.83 0.52 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.297 -0.877 . . . . 0.0 110.411 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.64 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.32 117.45 4.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.0 109.534 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.615 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 93.8 m95 -101.24 131.61 47.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.324 -0.86 . . . . 0.0 111.09 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 61.44 25.2 64.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.01 23.62 0.17 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.662 -1.493 . . . . 0.0 109.448 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -159.13 114.17 2.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -122.18 11.6 10.17 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.323 -0.86 . . . . 0.0 108.898 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' C' ' 63' ' ' ARG . 24.1 ttt180 -138.08 22.08 2.82 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -147.13 152.6 38.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 108.306 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -101.83 58.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.58 158.18 43.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.502 -0.749 . . . . 0.0 109.998 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.37 134.16 47.74 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.596 HG23 ' O ' ' C' ' 68' ' ' THR . 7.7 t -89.93 111.87 23.07 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.7 -1.25 . . . . 0.0 109.124 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.27 120.94 43.44 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.481 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 62.7 t -125.72 81.57 65.1 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -85.44 60.16 5.26 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.832 2.355 . . . . 0.0 111.669 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.526 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 30.3 t90 -71.71 131.52 85.96 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 109.585 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.526 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 78.5 Cg_exo -40.83 149.75 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.527 1.484 . . . . 0.0 110.876 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 9.5 t-20 -130.45 -42.97 1.16 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.191 -0.943 . . . . 0.0 109.574 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.84 125.35 40.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.275 -0.89 . . . . 0.0 109.06 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.4 t -81.64 108.34 15.12 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.2 mt -84.11 134.84 34.58 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.65 0.738 . . . . 0.0 110.102 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.548 HG23 ' O ' ' C' ' 78' ' ' THR . 5.8 t -93.8 113.19 59.8 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.561 -0.712 . . . . 0.0 109.237 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -90.12 -48.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.563 1.509 . . . . 0.0 113.777 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.33 -44.05 2.39 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -60.1 -50.02 75.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.305 -1.497 . . . . 0.0 112.903 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.8 t30 -70.45 -43.56 69.58 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 119.852 -1.78 . . . . 0.0 109.802 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -60.27 -49.95 75.59 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.29 -0.881 . . . . 0.0 110.988 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.29 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.749 -1.219 . . . . 0.0 109.894 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 40.4 p -69.99 -40.05 75.55 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.487 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 37.1 t-105 -68.08 -39.95 82.79 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.41 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.682 -1.261 . . . . 0.0 108.58 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.08 -42.78 95.35 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.544 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 62.4 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.491 -0.755 . . . . 0.0 108.996 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.8 -40.17 96.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.357 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -60.79 -42.72 98.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.0 -43.24 95.32 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.473 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.17 -41.56 87.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 0.0 109.306 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.33 -44.97 95.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.235 -0.916 . . . . 0.0 110.65 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -67.27 -39.93 86.13 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.802 -1.186 . . . . 0.0 109.72 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.3 -40.13 81.82 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 109.088 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' C' ' 101' ' ' THR . 86.4 tt0 -60.23 -44.98 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.579 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -46.18 90.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.284 -0.885 . . . . 0.0 109.676 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.493 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.6 t-20 -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -46.97 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.343 -0.848 . . . . 0.0 109.764 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' C' ' 97' ' ' GLU . 76.4 p -60.02 -42.46 94.41 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.088 -1.007 . . . . 0.0 109.063 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.97 75.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.634 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.02 -43.85 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.632 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.446 HD23 HD11 ' C' ' 18' ' ' LEU . 82.2 mt -61.32 -42.74 99.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 0.0 109.443 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.0 109.656 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.17 -40.05 82.39 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.254 -0.904 . . . . 0.0 108.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.52 91.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.279 -0.888 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.13 -47.39 86.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.091 -1.005 . . . . 0.0 109.438 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 109.247 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -67.56 -40.1 84.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.434 -0.791 . . . . 0.0 110.184 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -60.01 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 109.917 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 112' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 0.5 OUTLIER -63.42 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.975 -1.078 . . . . 0.0 109.602 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.13 -39.99 90.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.131 -0.981 . . . . 0.0 109.804 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -60.6 -41.17 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.945 -1.097 . . . . 0.0 109.522 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.0 -40.0 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.065 -1.022 . . . . 0.0 108.922 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.05 -44.15 94.9 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.17 -39.93 88.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.176 -0.952 . . . . 0.0 109.168 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.06 -40.08 88.23 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.555 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.6 mt-30 -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.677 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 109.754 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.76 -47.59 85.05 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -126.6 61.09 1.32 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.659 -0.651 . . . . 0.0 109.254 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.555 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 117.888 -1.054 . . . . 0.0 109.176 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.527 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.0 mt-30 -69.54 144.01 53.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 109.117 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.06 60.28 5.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.104 -0.997 . . . . 0.0 108.887 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.91 -40.0 87.58 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.513 -0.742 . . . . 0.0 109.443 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -61.09 -42.28 98.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.56 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 5' ' ' THR . 61.9 tp -60.76 -42.61 97.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 108.953 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.2 mt -60.04 -39.98 87.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.456 -0.778 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.173 -0.954 . . . . 0.0 108.672 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.32 -47.1 45.76 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -48.82 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.143 -1.21 . . . . 0.0 109.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.02 -41.14 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.046 -1.034 . . . . 0.0 108.619 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.82 -40.04 91.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.562 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.0 -41.59 92.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.14 -0.975 . . . . 0.0 109.592 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.02 -40.47 89.39 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.064 -1.023 . . . . 0.0 109.104 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.12 -43.37 95.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.484 -0.76 . . . . 0.0 109.779 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.11 -40.42 96.16 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.45 -40.83 95.91 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.985 . . . . 0.0 109.116 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD11 HD23 ' A' ' 104' ' ' LEU . 34.8 tp -60.08 -42.91 95.6 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.815 . . . . 0.0 109.135 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.3 t0 -60.07 -46.3 90.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.398 -0.814 . . . . 0.0 110.209 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.01 -39.99 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.0 109.822 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.4 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.128 -0.983 . . . . 0.0 108.465 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.02 -40.02 94.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HG2' HH11 ' A' ' 23' ' ' ARG . 23.2 mmt-85 -60.0 -40.3 88.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 109.136 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.29 85.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.293 -0.88 . . . . 0.0 108.924 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -59.92 -48.96 79.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.888 . . . . 0.0 110.04 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.65 -40.39 95.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.72 -1.237 . . . . 0.0 109.674 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.67 -42.32 96.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 109.423 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.05 -40.05 88.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.237 -0.914 . . . . 0.0 110.035 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.056 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -64.19 -40.73 96.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 109.661 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.0 p -63.16 -39.99 96.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.072 -1.017 . . . . 0.0 109.397 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.04 -39.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.307 -0.87 . . . . 0.0 108.984 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.15 -42.54 95.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.776 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.32 -47.69 89.84 Favored Glycine 0 N--CA 1.488 2.133 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -49.92 75.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.918 -1.342 . . . . 0.0 109.202 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.8 -39.97 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 40' ' ' THR . 17.3 t30 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 109.715 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 38' ' ' LEU . 88.6 mt -59.92 -40.11 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 0.0 108.376 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.92 -39.85 86.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.44 -0.788 . . . . 0.0 109.268 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 60.5 p -59.74 -40.21 87.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.735 -1.228 . . . . 0.0 108.623 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.533 HH22 ' CG ' ' B' ' 82' ' ' ASN . 45.3 mtt-85 -62.64 -39.92 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.843 -1.161 . . . . 0.0 108.684 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.06 -42.98 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 109.058 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.9 p -59.91 -40.3 88.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.034 -1.041 . . . . 0.0 109.139 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.4 75.72 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.427 -1.421 . . . . 0.0 109.204 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.11 -40.02 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.64 -39.99 90.34 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.673 -1.267 . . . . 0.0 108.502 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.17 -41.99 97.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.019 -1.051 . . . . 0.0 109.188 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 42.0 m-85 -64.67 -39.74 94.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 109.509 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.85 -37.59 79.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.876 -1.14 . . . . 0.0 108.118 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.0 -39.32 85.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.787 -1.196 . . . . 0.0 108.167 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -59.22 -39.84 83.99 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.871 -1.143 . . . . 0.0 108.168 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.08 -39.39 85.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 108.799 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.74 -34.28 62.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.886 -1.134 . . . . 0.0 108.82 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.43 -39.9 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.64 116.9 17.74 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -132.41 -69.43 0.58 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.264 -0.897 . . . . 0.0 109.204 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.45 87.56 1.32 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -100.45 126.62 46.87 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.772 -0.58 . . . . 0.0 109.971 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 110.63 -4.26 29.33 Favored Glycine 0 N--CA 1.498 2.814 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.664 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.43 25.71 0.31 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.0 -1.883 . . . . 0.0 109.366 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.45 102.57 14.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.585 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 17.7 m-85 -107.34 7.49 29.21 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.827 -1.171 . . . . 0.0 109.864 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.68 24.59 0.28 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.5 152.49 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.723 -0.611 . . . . 0.0 109.477 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.95 57.53 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 159.93 44.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.504 -0.748 . . . . 0.0 109.969 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -119.49 134.48 55.2 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.29 121.63 37.15 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.767 0.794 . . . . 0.0 110.916 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.27 123.05 49.09 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' TRP . 20.4 t -125.59 83.43 61.93 Favored Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.353 -0.842 . . . . 0.0 109.811 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.89 65.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 122.939 2.426 . . . . 0.0 112.122 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 47.5 t90 -68.73 130.07 92.04 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.077 -1.014 . . . . 0.0 108.657 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 57.3 Cg_exo -36.89 147.91 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.761 1.64 . . . . 0.0 111.946 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 40.5 t-20 -130.12 -60.1 1.03 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.461 -0.775 . . . . 0.0 109.49 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.69 126.2 36.69 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.042 -1.036 . . . . 0.0 108.994 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 p -80.51 108.57 14.25 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.78 136.14 35.43 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.401 0.62 . . . . 0.0 109.96 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -91.94 112.26 53.91 Favored Pre-proline 0 N--CA 1.492 1.654 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -92.91 -48.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.84 1.693 . . . . 0.0 114.867 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.4 -44.27 2.37 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.379 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.5 p90 -60.01 -51.65 68.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.292 -1.505 . . . . 0.0 112.006 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 7.9 t-20 -79.58 -41.65 26.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.09 -1.631 . . . . 0.0 110.075 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.02 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.267 -0.896 . . . . 0.0 109.844 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.94 -48.4 81.84 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.087 -1.008 . . . . 0.0 109.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 81' ' ' TRP . 71.5 p -65.31 -40.25 93.53 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.285 -0.884 . . . . 0.0 109.774 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -60.56 -39.95 89.85 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.055 -1.028 . . . . 0.0 109.373 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -42.1 93.53 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.853 -1.155 . . . . 0.0 108.288 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.0 -39.99 94.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.245 -0.909 . . . . 0.0 109.009 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.441 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -59.97 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.64 -44.2 96.65 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -42.62 98.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 110.864 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.43 -42.51 96.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.776 -1.203 . . . . 0.0 109.383 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.57 -41.15 86.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.077 -1.014 . . . . 0.0 108.706 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.66 -45.12 95.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.496 -0.753 . . . . 0.0 110.686 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -63.84 -41.95 97.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.811 -1.181 . . . . 0.0 109.684 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.66 -41.1 92.9 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.997 -1.065 . . . . 0.0 108.778 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.11 -48.28 82.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.374 -0.829 . . . . 0.0 109.137 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.27 -44.51 95.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.396 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.26 -44.31 95.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.519 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.18 -45.27 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.408 -0.808 . . . . 0.0 109.329 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.8 p -60.67 -41.97 96.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.259 -0.901 . . . . 0.0 109.889 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.33 99.05 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.036 . . . . 0.0 109.165 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.94 -42.21 90.33 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.502 HD23 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -61.14 -46.66 89.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.086 -1.009 . . . . 0.0 108.738 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.99 -41.28 96.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.538 -0.726 . . . . 0.0 109.432 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.88 95.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.401 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 26.0 mm100 -60.1 -46.72 88.68 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.411 -0.806 . . . . 0.0 109.491 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.92 -49.95 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.132 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.33 -40.17 93.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.942 . . . . 0.0 109.22 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.94 -49.46 77.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.505 -0.747 . . . . 0.0 109.439 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.18 -40.66 98.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.946 . . . . 0.0 109.278 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -63.14 -40.07 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.431 -0.793 . . . . 0.0 109.634 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.75 -40.53 84.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.959 -1.088 . . . . 0.0 109.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -69.19 -40.08 78.3 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.92 -47.47 85.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.88 -40.09 91.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.02 -41.79 92.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.9 mt-30 -60.34 -40.49 90.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.745 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -60.39 -39.94 89.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.183 -0.948 . . . . 0.0 109.219 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.82 -49.04 79.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -115.94 56.98 0.76 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.403 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 95.9 mt-30 -69.73 143.99 52.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.892 . . . . 0.0 109.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.25 60.32 5.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.112 -0.993 . . . . 0.0 108.821 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.86 -40.02 87.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.535 -0.728 . . . . 0.0 109.519 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -61.24 -42.27 98.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.204 -0.935 . . . . 0.0 109.527 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' B' ' 5' ' ' THR . 61.8 tp -60.65 -42.55 97.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.141 -0.974 . . . . 0.0 108.851 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.51 -0.743 . . . . 0.0 109.772 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.199 -0.938 . . . . 0.0 108.668 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.43 -47.03 45.27 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -48.88 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.257 -1.143 . . . . 0.0 109.809 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.94 -41.33 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.125 -0.984 . . . . 0.0 108.589 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.79 -39.94 90.76 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.559 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -59.99 -41.52 92.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 109.675 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.08 -40.41 89.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.968 . . . . 0.0 109.005 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.06 -43.25 95.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.787 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.09 -40.75 96.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.101 -1.0 . . . . 0.0 109.908 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.09 -40.83 95.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.506 HD11 HD23 ' B' ' 104' ' ' LEU . 34.3 tp -60.21 -43.0 96.33 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.509 -0.744 . . . . 0.0 109.084 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.97 -46.33 89.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 110.202 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.99 -40.09 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 109.894 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 67.0 t -59.94 -40.67 83.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.153 -0.967 . . . . 0.0 108.568 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.0 -40.01 94.19 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.304 0.573 . . . . 0.0 109.454 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.445 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 23.9 mmt-85 -60.11 -40.27 89.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.384 -0.823 . . . . 0.0 109.02 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.97 -39.58 86.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.387 -0.821 . . . . 0.0 108.869 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.93 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -64.71 -40.37 95.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.774 -1.204 . . . . 0.0 109.605 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.59 -42.48 96.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.468 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.17 -39.89 88.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.242 -0.911 . . . . 0.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.0 108.98 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.1 mt -64.17 -40.92 97.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 58.1 p -62.83 -39.99 96.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.122 -0.986 . . . . 0.0 109.445 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.16 -39.9 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.04 -42.79 95.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.807 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.62 90.12 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.624 -1.274 . . . . 0.0 110.195 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -50.01 75.42 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.006 -1.29 . . . . 0.0 109.252 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -61.04 -39.95 91.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.299 -0.875 . . . . 0.0 109.148 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -59.96 -40.14 88.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.275 -0.891 . . . . 0.0 109.672 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.98 -39.94 87.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.04 -1.037 . . . . 0.0 108.399 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.09 -39.89 87.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.391 -0.818 . . . . 0.0 109.242 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 59.6 p -59.62 -40.19 86.74 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.73 -1.231 . . . . 0.0 108.587 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' C' ' 82' ' ' ASN . 46.3 mtt-85 -62.7 -40.0 95.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.858 -1.151 . . . . 0.0 108.587 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.03 -42.8 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -59.97 -40.27 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -1.0 . . . . 0.0 109.161 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.4 75.22 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.307 -1.496 . . . . 0.0 109.21 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.98 -40.12 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 110.657 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.63 -40.03 90.4 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.633 -1.227 . . . . 0.0 108.54 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.04 -41.57 96.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.935 -1.103 . . . . 0.0 109.339 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 41.8 m-85 -65.15 -39.93 93.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.342 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 49' ' ' LEU . 64.9 mt -59.82 -37.43 79.14 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.842 -1.161 . . . . 0.0 108.177 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.97 -39.38 85.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 108.195 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.31 -39.77 84.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.811 -1.181 . . . . 0.0 108.041 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.525 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.55 86.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.893 -1.129 . . . . 0.0 108.773 178.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.68 -34.17 61.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.834 -1.166 . . . . 0.0 108.819 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.63 -39.88 85.75 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.73 117.15 18.06 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -132.64 -69.23 0.58 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.188 -0.945 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.6 87.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -100.25 126.35 46.54 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.815 -0.553 . . . . 0.0 109.977 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 110.82 -4.35 29.05 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.785 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.45 25.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.012 -1.875 . . . . 0.0 109.364 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.566 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.45 102.23 14.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.441 -0.787 . . . . 0.0 109.562 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.56 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 18.4 m-85 -106.97 7.51 29.97 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.862 -1.149 . . . . 0.0 109.909 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -157.78 24.56 0.27 Allowed 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -144.54 152.59 40.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.661 -0.649 . . . . 0.0 109.51 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -111.01 57.5 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.88 159.95 43.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.489 -0.757 . . . . 0.0 109.984 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.46 134.43 55.22 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.41 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -95.21 121.64 37.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.416 -0.803 . . . . 0.0 110.788 -178.081 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.21 123.14 49.23 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' B' ' 72' ' ' TRP . 20.4 t -125.67 83.34 62.31 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.319 -0.863 . . . . 0.0 109.713 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.85 65.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.885 2.39 . . . . 0.0 112.043 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' B' ' 70' ' ' VAL . 47.7 t90 -68.67 130.36 91.93 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.896 -1.127 . . . . 0.0 108.705 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 62.4 Cg_exo -37.13 147.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.585 1.523 . . . . 0.0 112.005 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 40.7 t-20 -130.3 -60.15 1.01 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.427 -0.796 . . . . 0.0 109.51 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.56 126.16 36.55 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.829 -1.169 . . . . 0.0 109.025 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.1 p -80.35 108.44 13.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 mt -81.74 136.1 35.47 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.453 0.644 . . . . 0.0 109.888 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.668 HG23 ' O ' ' B' ' 78' ' ' THR . 14.0 t -91.86 112.25 53.74 Favored Pre-proline 0 N--CA 1.492 1.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -92.89 -48.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 121.769 1.646 . . . . 0.0 114.952 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -121.24 -44.24 2.39 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.157 -0.964 . . . . 0.0 113.345 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.6 p90 -59.94 -51.52 69.34 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.31 -1.494 . . . . 0.0 112.075 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 8.0 t-20 -79.72 -41.44 26.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.11 -1.619 . . . . 0.0 109.956 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.942 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -48.6 81.03 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.111 -0.993 . . . . 0.0 109.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 81' ' ' TRP . 71.4 p -64.87 -39.99 94.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.135 -0.978 . . . . 0.0 109.901 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -60.95 -40.02 91.71 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.285 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -41.56 92.44 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.853 -1.155 . . . . 0.0 108.23 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.46 -39.98 95.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.485 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.5 t90 -59.99 -49.84 76.08 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.44 -44.63 95.6 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.32 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.66 -43.03 98.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.789 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.14 -42.19 94.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.682 -1.261 . . . . 0.0 109.611 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.92 -40.93 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 120.97 -1.081 . . . . 0.0 108.895 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.04 -44.89 96.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.518 -0.739 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -63.74 -41.7 97.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.728 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.9 90.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.123 -0.986 . . . . 0.0 108.819 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.27 -48.13 83.07 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.319 -0.863 . . . . 0.0 109.085 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -44.38 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.267 -0.895 . . . . 0.0 109.469 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.41 -44.14 96.02 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.307 -0.871 . . . . 0.0 109.512 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.46 -44.94 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 76.7 p -61.28 -41.02 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.924 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.89 99.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.148 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.65 -41.77 87.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.167 -0.958 . . . . 0.0 109.429 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.506 HD23 HD11 ' B' ' 18' ' ' LEU . 84.7 mt -61.5 -46.25 90.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.978 . . . . 0.0 108.752 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.07 -48.1 83.14 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.04 -41.17 96.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.98 95.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 108.86 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -60.05 -46.92 87.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.301 -0.874 . . . . 0.0 109.551 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.247 -0.908 . . . . 0.0 109.132 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -65.4 -40.08 93.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 109.152 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.95 -49.59 77.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.389 -0.819 . . . . 0.0 109.368 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -63.06 -40.81 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.977 . . . . 0.0 109.318 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.93 -40.06 96.48 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.22 82.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.922 -1.111 . . . . 0.0 109.366 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -39.93 77.81 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -60.01 -47.4 85.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.567 -0.708 . . . . 0.0 109.455 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.98 91.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 109.545 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.09 -41.71 93.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.285 -0.884 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.9 mt-30 -60.23 -40.37 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.52 -39.99 89.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.251 -0.906 . . . . 0.0 109.194 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.68 -49.28 78.34 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -115.62 56.77 0.75 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 95.7 mt-30 -69.66 144.11 53.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.977 . . . . 0.0 109.095 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -89.2 59.87 5.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.988 -1.07 . . . . 0.0 108.888 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.94 -40.02 87.47 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.537 -0.727 . . . . 0.0 109.645 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -61.03 -42.3 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.489 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' C' ' 5' ' ' THR . 62.1 tp -60.58 -42.7 97.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -0.872 . . . . 0.0 108.99 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.15 -39.97 88.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.699 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.91 86.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.114 -0.992 . . . . 0.0 108.734 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.05 44.24 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -48.96 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.184 -1.186 . . . . 0.0 109.688 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -59.98 -40.99 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 120.994 -1.066 . . . . 0.0 108.641 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.86 -40.06 91.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.429 -0.795 . . . . 0.0 109.576 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.01 -41.34 91.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.581 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.1 -40.47 89.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.99 . . . . 0.0 109.094 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.02 -43.32 95.34 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.347 -0.846 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.81 97.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.028 -1.045 . . . . 0.0 109.939 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.11 -41.0 95.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.244 -0.91 . . . . 0.0 109.17 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.507 HD11 HD23 ' C' ' 104' ' ' LEU . 34.0 tp -60.05 -43.16 95.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ASP . . . . . 0.451 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 55.6 t0 -59.97 -46.14 90.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.441 -0.787 . . . . 0.0 110.311 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.97 -40.04 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 109.79 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.02 -40.49 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.08 -1.012 . . . . 0.0 108.422 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.12 -40.07 94.65 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.451 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 23.7 mmt-85 -60.01 -40.24 88.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.02 -39.56 86.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 108.882 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -59.94 -48.77 80.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -0.94 . . . . 0.0 109.989 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -64.62 -40.07 94.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.643 -1.286 . . . . 0.0 109.681 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.23 -41.88 97.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.136 -0.978 . . . . 0.0 109.299 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.29 -40.01 88.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.1 -39.95 87.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 109.016 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.441 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.5 mt -64.1 -40.78 96.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.734 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.0 p -63.17 -39.99 96.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 109.43 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.05 -39.95 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -60.08 -42.62 94.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.376 -0.827 . . . . 0.0 109.889 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.16 -47.63 90.1 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.18 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -49.96 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.974 -1.309 . . . . 0.0 109.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.96 -40.07 91.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.219 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -59.91 -40.07 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.98 -39.95 87.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 108.506 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.04 -39.71 86.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.787 -1.196 . . . . 0.0 108.639 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' A' ' 82' ' ' ASN . 45.2 mtt-85 -62.75 -39.92 95.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.931 -1.106 . . . . 0.0 108.618 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.13 -42.69 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 81.6 p -60.05 -40.13 88.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.063 -1.023 . . . . 0.0 109.178 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.37 74.78 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.415 -1.428 . . . . 0.0 109.218 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.84 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.568 -0.708 . . . . 0.0 110.593 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -40.01 91.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.753 -1.217 . . . . 0.0 108.578 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.18 -41.64 97.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.971 -1.081 . . . . 0.0 109.191 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 42.2 m-85 -64.99 -39.89 94.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.956 -1.09 . . . . 0.0 109.42 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.0 mt -59.79 -37.41 79.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.184 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.93 -39.5 85.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.932 -1.105 . . . . 0.0 108.152 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.38 -39.66 84.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.873 -1.142 . . . . 0.0 108.142 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -59.99 -39.62 86.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.022 -1.049 . . . . 0.0 108.803 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.36 62.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.976 -1.078 . . . . 0.0 108.811 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.27 -39.85 84.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -76.75 117.07 18.0 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -132.57 -69.5 0.58 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.21 -0.931 . . . . 0.0 109.135 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.34 87.32 1.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -100.27 126.79 46.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.716 -0.615 . . . . 0.0 109.918 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 110.18 -3.74 29.94 Favored Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.759 177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.63 25.82 0.33 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 119.928 1.864 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.576 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.58 102.27 14.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.372 -0.83 . . . . 0.0 109.61 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 17.7 m-85 -106.97 7.52 29.96 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.855 -1.153 . . . . 0.0 109.902 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.78 24.86 0.27 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.82 152.44 40.31 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.742 -0.598 . . . . 0.0 109.497 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -110.88 57.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.91 159.93 43.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.487 -0.758 . . . . 0.0 110.003 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.56 134.41 55.24 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.414 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -95.23 121.81 37.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.298 -0.876 . . . . 0.0 110.837 -177.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.47 123.11 49.29 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' C' ' 72' ' ' TRP . 20.6 t -125.8 83.28 62.82 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.338 -0.851 . . . . 0.0 109.768 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.86 65.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.996 2.464 . . . . 0.0 112.068 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.485 ' N ' ' O ' ' C' ' 70' ' ' VAL . 47.3 t90 -68.9 130.18 91.78 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 120.991 -1.068 . . . . 0.0 108.786 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.462 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 59.7 Cg_exo -36.81 147.9 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.742 1.628 . . . . 0.0 111.996 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 41.1 t-20 -130.24 -60.26 1.01 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.34 -0.85 . . . . 0.0 109.39 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.65 126.36 36.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.098 -1.001 . . . . 0.0 108.963 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 13.4 p -80.65 108.73 14.53 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.13 136.15 35.2 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.494 0.664 . . . . 0.0 109.764 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.651 HG23 ' O ' ' C' ' 78' ' ' THR . 13.5 t -91.99 112.52 55.25 Favored Pre-proline 0 N--CA 1.491 1.593 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -93.16 -48.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.751 1.634 . . . . 0.0 114.896 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 -44.16 2.37 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.16 -0.962 . . . . 0.0 113.262 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.673 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.4 p90 -59.98 -51.69 68.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.379 -1.45 . . . . 0.0 111.997 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.673 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 8.0 t-20 -79.77 -41.39 26.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.132 -1.605 . . . . 0.0 110.078 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.07 -49.63 76.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.111 -0.993 . . . . 0.0 109.863 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.01 -48.8 80.22 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 109.097 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.502 HG23 ' O ' ' C' ' 81' ' ' TRP . 69.9 p -64.7 -40.01 94.64 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.335 -0.853 . . . . 0.0 109.798 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -61.07 -40.09 92.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.242 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.06 -41.61 92.74 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.253 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.52 -40.07 95.58 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 108.912 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -59.97 -49.85 76.05 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.39 -44.3 95.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.327 -0.858 . . . . 0.0 109.26 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.252 -0.905 . . . . 0.0 110.751 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.13 -42.28 94.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.656 -1.278 . . . . 0.0 109.426 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.7 -41.27 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.086 -1.009 . . . . 0.0 108.822 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.77 -44.82 96.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.0 110.676 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.93 -41.62 97.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.828 -1.17 . . . . 0.0 109.719 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.96 -41.14 91.59 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.129 -0.982 . . . . 0.0 108.724 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.94 -48.6 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.44 -0.788 . . . . 0.0 109.136 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -44.58 94.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.502 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -60.34 -43.99 95.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 0.0 109.53 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.47 -45.28 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 109.265 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 75.1 p -60.97 -41.18 95.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.913 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.41 99.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.953 -1.092 . . . . 0.0 109.372 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.17 -41.31 86.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.304 -0.872 . . . . 0.0 109.326 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.507 HD23 HD11 ' C' ' 18' ' ' LEU . 84.9 mt -61.75 -46.59 88.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.135 -0.978 . . . . 0.0 108.698 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -47.77 84.49 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.26 -41.11 96.37 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.37 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.1 95.82 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.108 -0.995 . . . . 0.0 108.948 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.431 -0.793 . . . . 0.0 109.555 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.105 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -65.28 -40.08 93.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.06 -49.61 76.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.45 -0.781 . . . . 0.0 109.516 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.17 -40.67 98.22 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.271 -0.893 . . . . 0.0 109.267 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.88 -40.14 96.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.29 -0.881 . . . . 0.0 109.752 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.13 -40.12 82.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -40.03 77.77 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.98 -47.76 84.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.511 -0.743 . . . . 0.0 109.492 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -39.99 90.45 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -0.956 . . . . 0.0 109.486 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.02 -41.56 92.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.254 -0.904 . . . . 0.0 109.688 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.9 mt-30 -60.5 -40.74 92.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.142 -0.974 . . . . 0.0 109.621 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.0 -39.72 86.74 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.95 -49.18 78.68 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -116.04 57.03 0.76 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -71.59 144.89 49.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -89.38 59.95 5.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.106 -0.996 . . . . 0.0 109.335 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -65.47 -40.05 92.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.138 -0.976 . . . . 0.0 109.492 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 10.2 t -59.98 -43.0 95.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.082 -1.011 . . . . 0.0 109.38 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 63.8 tp -60.04 -42.67 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.119 -0.988 . . . . 0.0 108.854 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.04 -38.96 84.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.45 -0.781 . . . . 0.0 109.657 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.64 57.09 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.73 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -1.097 . . . . 0.0 109.506 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.99 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 108.949 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.58 -39.97 89.97 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.504 -0.747 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -59.97 -41.42 91.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.0 109.596 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.63 -42.47 98.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.996 -1.065 . . . . 0.0 109.348 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.06 -45.32 93.25 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.204 -0.935 . . . . 0.0 109.095 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.15 -43.77 95.49 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.333 -0.854 . . . . 0.0 109.372 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.76 -40.67 97.99 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.242 -0.912 . . . . 0.0 109.589 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 HD23 ' A' ' 104' ' ' LEU . 57.3 tp -59.97 -42.51 94.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.267 -0.896 . . . . 0.0 108.711 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.01 -48.28 82.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.36 -0.838 . . . . 0.0 109.846 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 HG11 ' B' ' 21' ' ' VAL . 70.9 t -60.29 -40.59 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.257 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG11 HG11 ' C' ' 20' ' ' VAL . 56.3 t -59.96 -48.47 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -64.68 -40.47 95.45 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' NH2' HD11 ' B' ' 103' ' ' LEU . 38.5 ttm180 -60.67 -39.98 90.39 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -42.04 93.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.014 . . . . 0.0 109.796 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.43 -41.79 94.74 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.761 -1.212 . . . . 0.0 109.081 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD23 HD13 ' B' ' 28' ' ' LEU . 34.3 tp -60.37 -40.74 91.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.685 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD13 HD23 ' C' ' 27' ' ' LEU . 97.1 mt -60.0 -40.07 87.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.454 -0.779 . . . . 0.0 109.475 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.02 -40.06 87.98 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.06 -1.025 . . . . 0.0 108.751 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.561 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.8 mt -62.25 -41.39 98.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 109.749 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.6 p -63.24 -40.08 96.43 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.037 -1.039 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.21 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 109.19 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.04 -42.87 95.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.533 -0.729 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.11 71.22 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 119.611 -1.28 . . . . 0.0 110.276 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -59.93 -50.01 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -1.216 . . . . 0.0 110.009 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -60.59 -40.0 90.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.855 . . . . 0.0 109.637 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.97 -40.45 89.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.095 -1.003 . . . . 0.0 109.47 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.25 -40.01 88.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.937 -1.102 . . . . 0.0 109.234 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.08 -40.22 88.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 109.75 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.5 p -60.06 -42.81 95.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.889 -1.132 . . . . 0.0 108.667 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.671 ' NH1' HG21 ' B' ' 78' ' ' THR . 28.7 mtt-85 -63.3 -40.1 96.43 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -40.27 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.532 -0.73 . . . . 0.0 109.835 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 51.4 p -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.011 -1.055 . . . . 0.0 109.106 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.08 79.36 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.402 -1.436 . . . . 0.0 108.855 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.69 -42.16 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 43' ' ' THR . 21.8 pt-20 -62.37 -39.89 94.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.286 -1.509 . . . . 0.0 108.452 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.88 -42.18 93.18 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.153 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.2 m-85 -64.3 -39.39 93.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.683 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HE22 ' C' ' 52' ' ' GLN . 46.1 mt -59.8 -40.06 87.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.071 -1.018 . . . . 0.0 108.495 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.97 -1.082 . . . . 0.0 108.817 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.01 -42.2 93.8 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.208 -0.933 . . . . 0.0 109.565 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.445 HE22 ' CD2' ' B' ' 49' ' ' LEU . 31.8 mt-30 -60.64 -40.03 90.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.924 -1.11 . . . . 0.0 109.631 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -57.76 -32.95 67.97 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.106 -0.996 . . . . 0.0 108.572 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.63 -37.62 76.31 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -68.53 114.63 7.1 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -133.98 -68.53 0.56 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.274 -0.891 . . . . 0.0 109.407 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.47 87.61 1.45 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.48 ' C ' ' H ' ' A' ' 60' ' ' ALA . 72.9 m95 -104.73 146.82 28.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.559 -0.713 . . . . 0.0 110.386 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 56.56 5.28 1.14 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.525 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -75.86 23.82 0.13 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.331 -1.1 . . . . 0.0 108.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.9 107.28 2.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.68 12.81 35.8 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.286 -0.883 . . . . 0.0 109.494 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -117.34 21.58 13.01 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -150.84 151.76 32.74 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.44 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.121 -0.987 . . . . 0.0 108.752 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.52 157.82 42.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.436 -0.79 . . . . 0.0 109.319 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -125.29 133.0 52.8 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.96 120.73 40.26 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 121.892 0.853 . . . . 0.0 111.229 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 69' ' ' THR . 14.7 t -114.2 123.88 50.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.1 t -132.27 78.98 67.19 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.204 -0.935 . . . . 0.0 109.963 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.09 67.94 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 123.071 2.514 . . . . 0.0 112.264 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.518 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 28.6 t90 -67.1 132.42 93.64 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 120.89 -1.131 . . . . 0.0 108.333 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 92.5 Cg_exo -37.64 147.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.54 1.493 . . . . 0.0 112.047 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.3 OUTLIER -130.54 -60.03 1.0 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 127.05 35.35 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.7 t -78.29 112.6 15.45 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.221 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.59 140.24 44.24 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.816 0.817 . . . . 0.0 110.179 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 78' ' ' THR . 6.8 t -135.27 87.39 28.19 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -100.25 -43.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 123.258 2.638 . . . . 0.0 114.353 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.96 -44.87 29.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 112.99 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.543 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 6.1 p90 -90.05 -28.78 18.81 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.465 -1.397 . . . . 0.0 112.821 -177.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.543 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 31.1 t30 -77.48 -49.9 13.8 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.124 -1.61 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -60.25 -45.21 94.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.088 -1.007 . . . . 0.0 110.211 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.93 -45.37 92.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.966 -1.084 . . . . 0.0 108.637 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' TRP . 45.3 p -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -67.57 -40.0 84.88 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.243 -0.91 . . . . 0.0 109.416 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.01 -40.82 90.58 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.893 -1.129 . . . . 0.0 108.25 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.48 -42.83 99.39 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 108.237 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.586 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.2 t90 -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.443 -0.786 . . . . 0.0 109.246 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.35 -40.47 95.93 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.862 . . . . 0.0 109.546 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.88 -42.29 99.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.03 -45.06 94.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.652 -1.28 . . . . 0.0 109.271 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.69 -40.99 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.63 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.09 -46.83 88.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.693 . . . . 0.0 110.138 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -68.83 -40.03 79.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.83 -1.169 . . . . 0.0 109.084 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.91 -41.49 91.38 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.462 -0.895 . . . . 0.0 108.923 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.19 -49.49 77.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.194 -0.941 . . . . 0.0 108.714 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 101' ' ' THR . 89.0 tt0 -61.38 -40.03 92.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.581 -0.699 . . . . 0.0 109.197 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.439 ' O ' ' NH1' ' C' ' 23' ' ' ARG . 22.7 m120 -64.25 -40.34 95.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.803 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.4 -41.41 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.077 -1.015 . . . . 0.0 108.923 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 67.0 p -60.63 -40.0 90.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.78 80.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.268 -0.895 . . . . 0.0 109.233 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.475 HD11 ' NH2' ' C' ' 23' ' ' ARG . 82.0 mt -63.21 -40.09 96.5 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.949 -1.094 . . . . 0.0 108.752 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 18' ' ' LEU . 90.6 mt -65.54 -40.51 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 109.535 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.9 -50.08 75.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.088 -1.007 . . . . 0.0 108.9 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.57 94.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.321 -0.862 . . . . 0.0 109.376 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.57 98.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.832 . . . . 0.0 109.517 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.03 -49.54 77.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.205 -0.935 . . . . 0.0 109.613 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -47.53 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.246 -0.909 . . . . 0.0 109.439 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -68.74 -40.31 79.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.34 -50.02 75.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.091 -1.005 . . . . 0.0 109.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -64.14 -41.95 96.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.347 -0.846 . . . . 0.0 109.133 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -67.76 -39.99 84.13 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.644 -0.822 . . . . 0.0 108.949 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.99 -44.37 96.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.138 -0.976 . . . . 0.0 109.246 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.68 -40.02 80.29 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.251 -0.906 . . . . 0.0 108.93 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -60.02 -44.85 94.33 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.354 -0.841 . . . . 0.0 110.062 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.57 -40.46 94.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.975 -1.078 . . . . 0.0 109.5 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.18 -42.26 98.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.889 . . . . 0.0 109.559 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.5 mt-30 -61.65 -39.89 92.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.188 -0.945 . . . . 0.0 109.679 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -60.09 -38.55 83.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.733 . . . . 0.0 109.445 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.65 -46.73 88.13 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.99 62.25 1.51 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.435 -0.791 . . . . 0.0 109.608 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 117.986 -1.006 . . . . 0.0 109.335 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.221 0.534 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -71.57 145.17 49.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 109.533 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.9 60.3 4.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.166 -0.959 . . . . 0.0 109.328 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -65.5 -39.99 92.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.218 -0.926 . . . . 0.0 109.461 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.496 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.7 t -60.02 -42.93 95.39 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.168 -0.957 . . . . 0.0 109.488 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.496 ' N ' HG23 ' B' ' 5' ' ' THR . 64.4 tp -60.13 -42.47 94.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 108.87 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.08 -39.23 85.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 109.544 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.06 87.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.041 -1.037 . . . . 0.0 108.658 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.37 -45.83 59.0 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -48.7 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -1.078 . . . . 0.0 109.56 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.03 -41.46 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.131 -0.98 . . . . 0.0 108.898 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.64 -39.97 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.192 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.94 -41.38 91.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.51 -0.744 . . . . 0.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.77 -42.47 99.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.044 -1.035 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.05 -45.25 93.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.036 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.51 -43.08 97.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.403 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.33 -40.37 97.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.338 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.441 HD11 HD23 ' B' ' 104' ' ' LEU . 56.9 tp -60.11 -42.62 95.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.233 -0.917 . . . . 0.0 108.724 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -60.04 -48.42 81.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 109.807 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.413 HG11 HG11 ' C' ' 21' ' ' VAL . 66.1 t -60.05 -40.47 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.986 -1.072 . . . . 0.0 109.392 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.423 HG11 HG11 ' A' ' 20' ' ' VAL . 56.2 t -60.08 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.69 -40.14 94.88 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.764 0.793 . . . . 0.0 108.976 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.471 ' NH2' HD11 ' C' ' 103' ' ' LEU . 38.6 ttm180 -60.82 -40.0 91.14 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.14 -39.97 88.19 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.333 -0.854 . . . . 0.0 108.834 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -59.96 -41.79 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.019 -1.05 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.85 -41.55 96.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.797 -1.189 . . . . 0.0 109.055 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.499 HD23 HD13 ' C' ' 28' ' ' LEU . 34.0 tp -60.26 -40.81 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.479 -0.763 . . . . 0.0 109.709 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.513 HD13 HD23 ' A' ' 27' ' ' LEU . 97.1 mt -59.97 -40.04 87.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.463 -0.773 . . . . 0.0 109.567 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.92 -40.16 87.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.073 -1.017 . . . . 0.0 108.712 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.56 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -62.38 -41.12 98.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.38 -40.24 96.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.44 -41.02 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.388 -0.82 . . . . 0.0 109.214 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -60.12 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 110.263 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.01 72.33 Favored Glycine 0 N--CA 1.489 2.187 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.3 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.01 -50.09 75.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 0.0 109.858 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.51 -39.96 89.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 0.0 109.582 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 0.0 109.552 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.69 -39.92 90.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.008 -1.057 . . . . 0.0 109.069 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.03 -40.28 88.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 109.812 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 44.6 p -60.04 -42.72 95.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.9 -1.125 . . . . 0.0 108.842 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.655 ' NH1' HG21 ' C' ' 78' ' ' THR . 29.4 mtt-85 -63.4 -40.08 96.24 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -40.25 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.634 -0.666 . . . . 0.0 109.803 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 52.0 p -60.04 -40.02 87.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.897 -1.127 . . . . 0.0 109.079 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.16 -39.92 78.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.355 -1.465 . . . . 0.0 108.796 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.69 -42.38 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.395 -0.816 . . . . 0.0 111.727 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 43' ' ' THR . 21.7 pt-20 -62.17 -39.88 94.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.322 -1.486 . . . . 0.0 108.544 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.98 -41.97 93.15 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.12 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.5 m-85 -64.19 -39.44 94.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.095 -1.003 . . . . 0.0 109.723 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.445 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.9 mt -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.074 -1.016 . . . . 0.0 108.458 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -60.25 -40.08 89.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.008 -1.057 . . . . 0.0 108.858 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.95 -42.05 93.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.212 -0.93 . . . . 0.0 109.599 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.473 HE22 ' CD2' ' C' ' 49' ' ' LEU . 31.6 mt-30 -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.923 -1.11 . . . . 0.0 109.493 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -57.47 -33.07 67.61 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.138 -0.976 . . . . 0.0 108.683 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.67 -37.63 76.43 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.56 114.55 7.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -133.93 -69.01 0.54 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.285 -0.884 . . . . 0.0 109.4 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 87.65 1.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.477 ' C ' ' H ' ' B' ' 60' ' ' ALA . 73.0 m95 -104.92 146.21 29.34 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.533 -0.73 . . . . 0.0 110.286 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 56.97 4.88 1.13 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.531 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.24 24.08 0.1 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.437 -1.037 . . . . 0.0 108.902 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.09 107.3 2.26 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 110.367 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.73 12.69 35.93 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.159 -0.963 . . . . 0.0 109.627 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -117.22 21.53 13.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -150.77 151.47 32.4 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.27 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 108.775 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.79 43.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.455 -0.778 . . . . 0.0 109.345 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -125.52 132.98 52.51 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 68' ' ' THR . 4.3 t -99.94 120.87 40.47 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.299 -0.875 . . . . 0.0 111.267 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 69' ' ' THR . 14.5 t -114.19 123.83 50.55 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 43.7 t -132.12 78.99 67.77 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.27 -0.894 . . . . 0.0 110.031 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.15 68.03 0.22 Allowed 'Trans proline' 0 N--CA 1.499 1.794 0 C-N-CA 123.115 2.544 . . . . 0.0 112.236 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.503 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 27.9 t90 -67.08 132.59 93.67 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 120.88 -1.137 . . . . 0.0 108.404 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -37.74 147.18 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 121.536 1.491 . . . . 0.0 111.904 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.532 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -130.42 -60.07 1.01 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.93 127.08 35.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -78.38 112.72 15.69 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.334 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.58 140.21 44.23 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.916 0.865 . . . . 0.0 110.198 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.721 HG23 ' O ' ' B' ' 78' ' ' THR . 6.6 t -135.28 87.49 27.92 Favored Pre-proline 0 N--CA 1.494 1.73 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -100.14 -44.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 123.225 2.617 . . . . 0.0 114.397 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.9 -45.15 29.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.214 -0.929 . . . . 0.0 113.05 -176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.557 ' CE2' ' OG1' ' B' ' 78' ' ' THR . 5.8 p90 -89.34 -29.81 18.87 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 120.501 -1.375 . . . . 0.0 112.865 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.524 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 32.3 t30 -77.02 -49.93 14.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.152 -1.593 . . . . 0.0 110.539 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.08 -45.4 93.04 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.861 -1.149 . . . . 0.0 110.252 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -45.1 93.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.039 -1.038 . . . . 0.0 108.568 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 81' ' ' TRP . 45.7 p -70.02 -39.98 75.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.348 -0.845 . . . . 0.0 108.748 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -67.56 -39.95 84.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 0.0 109.389 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.03 -40.69 90.19 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.802 -1.186 . . . . 0.0 108.281 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.63 -42.86 99.48 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.561 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.7 t90 -60.0 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.174 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.31 -40.46 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.244 -0.91 . . . . 0.0 109.449 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 110.231 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.09 -45.26 93.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.623 -1.298 . . . . 0.0 109.255 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.49 -40.8 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.141 -0.974 . . . . 0.0 108.641 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -59.97 -47.38 86.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.464 -0.773 . . . . 0.0 110.171 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.59 -40.01 80.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.837 -1.165 . . . . 0.0 109.192 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.79 -41.68 91.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.26 -0.9 . . . . 0.0 108.897 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.06 -49.51 77.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.156 -0.965 . . . . 0.0 108.857 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.36 -40.01 92.73 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.517 -0.739 . . . . 0.0 109.057 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.43 -40.42 95.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.298 -0.876 . . . . 0.0 109.879 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.27 -41.42 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 0.0 108.978 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 69.2 p -60.45 -39.99 89.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 109.431 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.0 79.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.32 -0.863 . . . . 0.0 109.109 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.47 HD11 ' NH2' ' A' ' 23' ' ' ARG . 82.2 mt -63.06 -40.05 96.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.905 -1.122 . . . . 0.0 108.801 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.441 HD23 HD11 ' B' ' 18' ' ' LEU . 90.6 mt -65.64 -40.54 92.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.091 -1.006 . . . . 0.0 109.478 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.01 -49.81 76.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 108.819 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -41.1 94.99 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.307 -0.871 . . . . 0.0 109.486 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -60.08 -49.58 77.1 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.116 -0.99 . . . . 0.0 109.518 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -47.49 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.191 -0.943 . . . . 0.0 109.427 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -68.9 -39.99 79.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 110.12 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -60.64 -50.05 75.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.709 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -64.03 -41.58 97.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.288 -0.883 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -68.24 -39.94 82.13 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.724 -0.79 . . . . 0.0 108.975 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.95 -44.32 97.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.92 -40.0 79.3 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.276 -0.89 . . . . 0.0 108.714 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.0 -44.91 94.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.44 -0.788 . . . . 0.0 110.143 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.5 -40.58 95.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.932 -1.105 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.94 -42.69 98.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.335 -0.853 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -61.36 -40.0 92.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -60.02 -38.78 83.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.454 -0.779 . . . . 0.0 109.463 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.44 -46.47 88.66 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -129.03 62.12 1.51 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.401 -0.812 . . . . 0.0 109.58 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.857 0 O-C-N 121.066 -1.021 . . . . 0.0 109.309 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.215 0.531 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.58 144.97 49.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 0.0 109.579 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 60.2 4.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.119 -0.988 . . . . 0.0 109.331 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -65.44 -40.03 92.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 109.468 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.501 HG23 ' N ' ' C' ' 6' ' ' LEU . 10.2 t -59.96 -42.83 94.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.094 -1.003 . . . . 0.0 109.452 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.501 ' N ' HG23 ' C' ' 5' ' ' THR . 64.6 tp -60.17 -42.53 95.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 108.835 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.1 -39.25 85.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.468 -0.77 . . . . 0.0 109.579 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.63 58.78 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -48.9 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.424 -1.045 . . . . 0.0 109.49 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.93 -41.28 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 108.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.74 -39.97 90.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.785 . . . . 0.0 109.092 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.98 -41.16 91.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.473 -0.767 . . . . 0.0 109.692 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -61.81 -42.39 98.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.028 -1.045 . . . . 0.0 109.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.0 -45.26 93.32 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.342 -0.849 . . . . 0.0 108.999 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.48 -43.53 96.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.317 -0.865 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.88 -40.53 97.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.0 109.501 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.459 HD11 HD23 ' C' ' 104' ' ' LEU . 57.2 tp -60.02 -42.63 94.76 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.695 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.88 -48.11 83.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.856 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.419 HG11 HG11 ' A' ' 21' ' ' VAL . 65.6 t -60.48 -40.49 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 0.0 109.31 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.413 HG11 HG11 ' B' ' 20' ' ' VAL . 57.5 t -60.01 -48.34 88.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.92 -40.31 94.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.475 ' NH2' HD11 ' A' ' 103' ' ' LEU . 38.6 ttm180 -60.91 -39.82 90.77 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.13 -39.95 88.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 108.892 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.05 -41.72 92.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.8 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.88 -41.28 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.743 -1.223 . . . . 0.0 109.096 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.517 HD23 HD13 ' A' ' 28' ' ' LEU . 33.9 tp -60.77 -40.71 93.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.504 -0.748 . . . . 0.0 109.668 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.499 HD13 HD23 ' B' ' 27' ' ' LEU . 96.9 mt -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.38 -0.825 . . . . 0.0 109.5 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.05 -40.13 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.03 -1.044 . . . . 0.0 108.725 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.586 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.0 mt -62.16 -41.26 98.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.944 . . . . 0.0 109.724 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.9 p -63.26 -40.06 96.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.035 -1.041 . . . . 0.0 109.641 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.334 -0.854 . . . . 0.0 109.263 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.03 -43.02 95.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.422 -0.799 . . . . 0.0 110.221 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -50.24 69.84 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.646 -1.264 . . . . 0.0 110.237 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -59.98 -49.97 75.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -1.21 . . . . 0.0 109.909 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.62 -40.05 90.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.931 . . . . 0.0 109.642 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.03 -40.12 88.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.54 -40.07 90.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.256 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.99 -40.27 88.56 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.304 -0.872 . . . . 0.0 109.81 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.5 p -60.06 -42.63 94.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.887 -1.133 . . . . 0.0 108.764 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.689 ' NH1' HG21 ' A' ' 78' ' ' THR . 29.5 mtt-85 -63.48 -39.97 95.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.16 -40.15 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.536 -0.728 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 52.9 p -60.01 -39.98 87.65 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.002 -1.061 . . . . 0.0 109.164 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.04 78.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.291 -1.505 . . . . 0.0 108.834 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.37 -42.53 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.511 -0.743 . . . . 0.0 111.739 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.02 -39.85 93.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.325 -1.484 . . . . 0.0 108.535 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -59.99 -42.02 93.32 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.146 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 36.6 m-85 -64.21 -39.58 94.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.235 -0.915 . . . . 0.0 109.692 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.473 ' CD2' HE22 ' B' ' 52' ' ' GLN . 44.9 mt -59.63 -39.91 85.88 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.015 -1.053 . . . . 0.0 108.567 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.19 -40.01 88.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.075 -1.015 . . . . 0.0 108.783 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.03 -41.94 93.3 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.096 -1.002 . . . . 0.0 109.641 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.456 HE22 ' CD2' ' A' ' 49' ' ' LEU . 31.4 mt-30 -61.03 -39.99 91.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.989 -1.069 . . . . 0.0 109.552 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -57.51 -32.95 67.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.112 -0.992 . . . . 0.0 108.599 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.77 -37.52 76.45 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.75 114.45 7.11 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -133.72 -68.71 0.56 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.257 -0.902 . . . . 0.0 109.424 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.29 87.73 1.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.8 m95 -104.98 146.62 28.79 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.543 -0.723 . . . . 0.0 110.321 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 56.65 5.18 1.13 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -75.62 23.79 0.12 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.405 -1.056 . . . . 0.0 108.845 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.76 107.38 2.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.966 . . . . 0.0 110.398 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -102.67 12.81 35.82 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.263 -0.898 . . . . 0.0 109.603 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -117.3 21.45 13.11 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -150.75 151.6 32.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.8 t -108.24 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.169 -0.957 . . . . 0.0 108.672 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.36 157.96 43.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -125.78 132.8 52.22 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.86 120.63 40.08 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.84 0.829 . . . . 0.0 111.253 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.536 HG23 ' O ' ' C' ' 69' ' ' THR . 15.0 t -114.02 124.02 51.11 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 43.9 t -132.36 78.76 67.32 Favored Pre-proline 0 N--CA 1.502 2.154 0 O-C-N 121.154 -0.967 . . . . 0.0 109.931 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.94 67.87 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.055 2.504 . . . . 0.0 112.25 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.522 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 27.8 t90 -67.01 132.54 93.79 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 94.6 Cg_exo -37.52 147.28 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.572 1.514 . . . . 0.0 111.993 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.3 OUTLIER -130.55 -60.01 1.0 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.02 127.07 35.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -78.35 112.87 15.81 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.256 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.81 140.17 43.77 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.817 0.818 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.713 HG23 ' O ' ' C' ' 78' ' ' THR . 6.7 t -135.2 87.49 28.35 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -100.15 -44.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.306 2.671 . . . . 0.0 114.273 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.81 -45.21 29.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 112.954 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.544 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 6.2 p90 -89.57 -29.0 19.19 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 120.543 -1.348 . . . . 0.0 112.954 -177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.531 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 31.5 t30 -77.4 -50.11 13.44 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.117 -1.615 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.19 -45.13 94.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -45.26 93.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.978 -1.076 . . . . 0.0 108.643 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.413 HG23 ' O ' ' C' ' 81' ' ' TRP . 46.3 p -70.04 -39.98 75.41 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -67.56 -39.95 84.94 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.362 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.07 -40.69 90.37 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.945 -1.097 . . . . 0.0 108.26 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.69 -42.71 99.3 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.073 -1.017 . . . . 0.0 108.283 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.98 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.5 -0.75 . . . . 0.0 109.254 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.54 -40.69 96.06 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.344 -0.847 . . . . 0.0 109.531 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.71 -42.16 99.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.0 110.159 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.95 -45.47 92.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.634 -1.292 . . . . 0.0 109.215 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.34 -40.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.142 -0.973 . . . . 0.0 108.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.01 -46.9 87.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.455 -0.778 . . . . 0.0 110.175 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.84 -39.98 79.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 109.134 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -41.69 89.96 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.867 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.07 -1.019 . . . . 0.0 108.756 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.32 -40.14 93.1 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.561 -0.712 . . . . 0.0 109.103 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.39 -40.09 95.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.891 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.49 -41.47 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.149 -0.97 . . . . 0.0 108.866 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 67.4 p -60.53 -39.93 89.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.26 -0.9 . . . . 0.0 109.463 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.74 80.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.841 . . . . 0.0 109.245 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.471 HD11 ' NH2' ' B' ' 23' ' ' ARG . 83.1 mt -63.24 -39.99 96.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.924 -1.11 . . . . 0.0 108.82 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.459 HD23 HD11 ' C' ' 18' ' ' LEU . 90.2 mt -65.74 -40.43 92.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 109.459 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.07 -49.93 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.113 -0.992 . . . . 0.0 108.784 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.57 -41.56 94.85 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.443 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.48 98.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 109.557 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -59.97 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.147 -0.971 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.28 -47.66 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.318 -0.864 . . . . 0.0 109.287 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.71 -40.1 80.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 110.173 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -60.45 -50.01 75.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.153 -0.967 . . . . 0.0 109.808 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -64.29 -41.94 96.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.402 -0.812 . . . . 0.0 109.145 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -67.82 -39.97 83.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.344 -0.848 . . . . 0.0 108.977 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.07 -43.71 98.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.24 -39.98 78.18 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.282 -0.886 . . . . 0.0 108.739 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.04 -44.77 94.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.451 -0.781 . . . . 0.0 110.068 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.54 -40.47 94.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.039 -1.038 . . . . 0.0 109.511 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.23 -42.38 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.7 mt-30 -61.68 -40.02 93.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 109.525 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -60.01 -38.12 81.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.97 -46.44 89.44 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -129.3 62.24 1.52 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.387 -0.82 . . . . 0.0 109.538 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.195 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -74.19 144.24 44.85 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.73 59.19 4.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.035 -1.041 . . . . 0.0 108.801 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.03 -40.04 94.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.555 -0.715 . . . . 0.0 109.128 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.8 t -60.31 -43.87 95.95 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.394 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' A' ' 5' ' ' THR . 63.7 tp -62.55 -42.21 99.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.153 -0.967 . . . . 0.0 108.831 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.2 -40.05 92.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.558 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.38 88.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 0.0 108.543 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.64 -45.46 58.91 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.02 -47.63 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.333 -1.098 . . . . 0.0 109.418 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -61.37 -40.07 92.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 109.261 178.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -60.04 -44.22 94.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.358 -0.838 . . . . 0.0 109.949 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.43 -40.54 91.44 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.08 -43.12 95.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' OE1' ' NE2' ' A' ' 12' ' ' GLN . 28.7 mt-30 -61.74 -40.44 95.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.147 -0.971 . . . . 0.0 109.25 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.41 -40.39 93.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.0 109.576 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.64 -41.11 98.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 0.0 108.958 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -59.94 -49.31 78.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 109.935 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.98 -40.93 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.97 . . . . 0.0 109.836 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -43.29 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.294 -0.879 . . . . 0.0 108.932 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.14 -40.03 95.29 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.523 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 29.8 mmt180 -60.78 -40.17 91.57 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.45 -0.781 . . . . 0.0 109.403 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.03 -43.19 95.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.293 -0.88 . . . . 0.0 109.734 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.76 -39.97 79.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 109.338 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 tp -63.11 -40.26 97.1 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.402 -0.811 . . . . 0.0 109.172 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.408 -0.808 . . . . 0.0 109.563 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.21 -40.0 88.56 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.04 -1.038 . . . . 0.0 109.64 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 83.6 mt -62.12 -41.69 98.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 0.0 110.018 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.0 -39.94 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.738 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.32 -40.3 85.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.269 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -59.94 -43.1 95.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.292 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.0 93.09 Favored Glycine 0 N--CA 1.489 2.173 0 C-N-CA 119.459 -1.353 . . . . 0.0 109.795 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.01 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -1.135 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -59.89 -40.09 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.07 -1.019 . . . . 0.0 109.998 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.24 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.92 -40.09 87.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 0.0 109.025 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -59.96 -40.03 87.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.259 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.2 p -60.03 -41.2 91.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.897 -1.127 . . . . 0.0 108.4 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.586 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.3 mtt-85 -63.24 -40.07 96.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.122 -0.986 . . . . 0.0 108.573 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.95 -41.16 85.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.164 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.832 -1.168 . . . . 0.0 109.187 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.98 77.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.31 -44.02 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.526 -0.734 . . . . 0.0 111.013 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.21 -39.84 91.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.569 -1.332 . . . . 0.0 108.159 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -60.04 -43.15 95.53 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.768 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.4 m-85 -65.62 -40.03 92.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.963 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.15 -40.12 88.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 108.504 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.0 -39.71 86.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.391 -0.818 . . . . 0.0 109.173 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.587 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.883 -1.136 . . . . 0.0 108.901 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.34 78.9 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.929 -1.107 . . . . 0.0 108.431 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 0.0 108.696 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.95 117.74 11.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.102 -0.999 . . . . 0.0 108.315 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 35.3 m120 -132.6 -62.94 0.8 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.428 -0.795 . . . . 0.0 110.647 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.18 116.92 4.08 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.737 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 92.1 m95 -103.34 131.45 50.4 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 65.57 20.78 68.3 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.93 -1.128 . . . . 0.0 110.619 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.1 22.75 0.11 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.883 -1.363 . . . . 0.0 109.043 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.91 107.44 1.28 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.171 -0.956 . . . . 0.0 109.473 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -108.8 11.96 25.91 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.181 -0.949 . . . . 0.0 110.208 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.2 mtp180 -141.9 25.27 1.96 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.078 -1.014 . . . . 0.0 109.004 177.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.28 152.71 39.61 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.39 59.11 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.219 -0.926 . . . . 0.0 109.228 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 156.22 41.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -131.25 133.26 45.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -91.86 114.55 27.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.918 -1.114 . . . . 0.0 109.252 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 69' ' ' THR . 6.6 t -112.7 119.89 39.64 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.565 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 85.6 t -122.71 86.13 49.56 Favored Pre-proline 0 N--CA 1.497 1.893 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -87.0 63.55 4.33 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.885 2.39 . . . . 0.0 111.868 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.431 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 17.2 t90 -70.03 136.78 87.15 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.402 -0.811 . . . . 0.0 109.148 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 86.9 Cg_exo -42.32 146.76 0.64 Allowed 'Trans proline' 0 N--CA 1.488 1.186 0 C-N-CA 120.974 1.116 . . . . 0.0 110.174 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.51 ' OD1' ' NE2' ' C' ' 52' ' ' GLN . 55.6 t30 -132.22 4.46 4.06 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.273 -0.892 . . . . 0.0 109.43 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.26 123.51 7.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -81.73 106.97 14.08 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.8 mt -79.11 136.66 37.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.478 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 78' ' ' THR . 8.8 t -90.43 111.58 48.12 Favored Pre-proline 0 N--CA 1.496 1.846 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -92.67 -49.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.089 0 C-N-CA 121.871 1.714 . . . . 0.0 114.838 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.19 -42.76 2.46 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.23 -50.07 75.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.169 -1.582 . . . . 0.0 111.811 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 57.0 t30 -72.99 -41.68 64.07 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.236 -1.54 . . . . 0.0 110.519 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.04 -50.13 74.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.078 -1.014 . . . . 0.0 110.518 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.91 -44.46 96.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.86 -1.15 . . . . 0.0 109.504 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 p -69.84 -40.05 76.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 110.142 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 30.1 t-105 -66.17 -40.04 90.19 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.898 -1.126 . . . . 0.0 109.427 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -59.98 -42.97 95.34 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 120.595 -1.316 . . . . 0.0 108.114 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.98 -41.4 91.95 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.466 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 58.4 t90 -60.06 -49.29 78.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.495 -0.753 . . . . 0.0 108.981 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.62 -40.03 95.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.168 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.13 -46.66 88.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 110.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.95 -42.43 94.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.943 -1.098 . . . . 0.0 110.059 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.24 -41.97 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.881 -1.137 . . . . 0.0 108.949 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.92 -47.1 87.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.266 -0.896 . . . . 0.0 110.318 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.23 -40.01 93.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.854 -1.153 . . . . 0.0 109.737 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.84 -41.36 87.55 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 109.016 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.53 -49.21 78.46 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 108.89 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.63 -44.1 96.74 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.284 -0.885 . . . . 0.0 109.279 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.497 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.3 t-20 -60.02 -48.39 81.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 109.417 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.93 -44.75 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.329 -0.857 . . . . 0.0 109.62 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -42.82 95.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.024 -1.047 . . . . 0.0 109.198 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.1 -47.58 85.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 0.0 108.961 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.0 -46.82 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.429 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.19 -41.2 96.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.287 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.03 -47.81 84.29 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.219 -0.926 . . . . 0.0 109.14 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.29 -40.24 93.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.21 95.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.333 -0.854 . . . . 0.0 109.53 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.97 -48.55 81.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.043 -1.035 . . . . 0.0 109.636 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.43 -46.1 93.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.228 -0.92 . . . . 0.0 109.354 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.85 -40.87 95.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.04 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 108.804 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.99 -42.53 94.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.626 -0.671 . . . . 0.0 109.514 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -61.0 -39.96 91.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.608 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -64.51 -40.24 95.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.917 -1.114 . . . . 0.0 109.257 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 115' ' ' MET . 1.4 tmt? -69.56 -39.96 77.08 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.499 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 65.1 t80 -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.437 -0.789 . . . . 0.0 109.318 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.932 . . . . 0.0 108.615 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.483 -0.76 . . . . 0.0 109.338 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.41 95.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.954 -1.092 . . . . 0.0 109.879 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.499 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.6 mmtm -60.07 -39.49 86.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.107 -0.995 . . . . 0.0 109.17 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.0 mt -59.38 -46.57 88.3 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -125.0 60.11 1.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.636 -0.665 . . . . 0.0 109.318 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.166 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -73.94 144.29 45.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.81 59.2 4.96 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.149 -0.969 . . . . 0.0 108.67 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -65.23 -39.97 93.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.502 -0.749 . . . . 0.0 109.131 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.532 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.0 t -60.2 -43.95 95.53 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.303 -0.873 . . . . 0.0 109.416 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.532 ' N ' HG23 ' B' ' 5' ' ' THR . 63.6 tp -62.67 -41.97 99.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.141 -0.975 . . . . 0.0 108.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.43 -40.04 93.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.264 -0.897 . . . . 0.0 109.455 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.71 90.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.158 -0.964 . . . . 0.0 108.539 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -45.63 62.02 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.95 -47.58 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.271 -1.135 . . . . 0.0 109.312 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.1 -40.39 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.464 ' C ' ' NE2' ' B' ' 12' ' ' GLN . 0.8 OUTLIER -61.64 -39.98 93.27 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -60.05 -44.59 94.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.13 -40.52 90.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -0.921 . . . . 0.0 109.893 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.145 -0.972 . . . . 0.0 109.348 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.449 ' OE1' ' NE2' ' B' ' 12' ' ' GLN . 28.6 mt-30 -62.03 -40.63 96.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.3 -40.32 93.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.414 -0.804 . . . . 0.0 109.48 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.83 -40.92 98.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.223 -0.923 . . . . 0.0 109.006 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -60.02 -49.43 77.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 0.0 109.903 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.06 -40.86 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.847 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -43.22 92.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.298 -0.876 . . . . 0.0 108.986 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.16 -40.0 95.2 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.582 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 29.9 mmt180 -60.88 -40.06 91.58 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.18 -40.06 88.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.402 -0.811 . . . . 0.0 109.358 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -59.93 -43.38 94.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.717 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.56 -39.98 80.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.93 -1.106 . . . . 0.0 109.269 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.16 -40.1 96.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.215 -0.928 . . . . 0.0 109.098 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.13 -40.27 89.21 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.66 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.32 -39.97 88.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.1 mt -62.04 -41.51 98.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.153 -0.967 . . . . 0.0 110.066 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.02 -40.07 95.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.0 109.77 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.18 -40.46 85.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.277 -0.889 . . . . 0.0 109.299 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.94 -43.36 95.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.442 -0.786 . . . . 0.0 110.31 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.34 -47.0 92.99 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -49.21 78.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.185 -1.185 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.96 -40.0 87.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.118 -0.989 . . . . 0.0 110.029 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.97 -40.1 87.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.103 -0.998 . . . . 0.0 109.15 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.032 -1.043 . . . . 0.0 109.085 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.03 -39.87 87.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 0.0 109.407 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 44.4 p -60.16 -41.13 92.17 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.863 -1.148 . . . . 0.0 108.256 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.64 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.6 mtt-85 -63.24 -39.98 96.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.212 -0.93 . . . . 0.0 108.667 177.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -41.13 85.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.076 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.6 p -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.854 -1.154 . . . . 0.0 109.223 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.02 76.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.824 -1.173 . . . . 0.0 109.125 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.97 -44.19 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 111.11 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.19 -39.91 91.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.433 -1.417 . . . . 0.0 108.141 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.01 -43.19 95.4 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.194 -1.003 . . . . 0.0 108.769 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.541 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 36.0 m-85 -65.54 -39.97 92.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.937 -1.102 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.25 -40.02 88.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.79 -1.194 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 108.529 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.02 -39.65 86.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.585 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -59.91 -40.1 87.69 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.791 -1.193 . . . . 0.0 108.93 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.45 78.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 120.869 -1.144 . . . . 0.0 108.489 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 108.768 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.67 117.63 11.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 0.0 108.402 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 35.3 m120 -132.55 -63.22 0.8 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.362 -0.836 . . . . 0.0 110.597 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.97 116.68 4.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.111 -0.993 . . . . 0.0 110.349 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.794 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 92.0 m95 -102.98 131.71 49.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.559 -0.713 . . . . 0.0 110.229 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.54 20.56 68.02 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.567 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.16 23.01 0.11 Allowed 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.939 -1.33 . . . . 0.0 109.136 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -162.02 107.41 1.26 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -108.5 11.83 26.55 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.133 -0.979 . . . . 0.0 110.231 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.538 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.0 mtp180 -141.95 25.57 1.93 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.098 -1.001 . . . . 0.0 109.017 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.56 152.7 39.37 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -103.4 59.42 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 109.295 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.51 156.16 40.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.45 -0.782 . . . . 0.0 109.403 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -131.43 133.44 45.21 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.519 HG23 ' O ' ' B' ' 68' ' ' THR . 6.2 t -92.09 114.75 27.38 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.9 -1.125 . . . . 0.0 109.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 69' ' ' THR . 6.7 t -112.93 119.9 39.55 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.542 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 87.3 t -122.91 86.06 50.49 Favored Pre-proline 0 N--CA 1.496 1.842 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.11 63.28 4.21 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.902 2.401 . . . . 0.0 111.93 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.435 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 16.7 t90 -69.7 136.78 87.94 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.186 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.435 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 86.3 Cg_exo -42.45 146.56 0.71 Allowed 'Trans proline' 0 N--CA 1.487 1.129 0 C-N-CA 120.899 1.066 . . . . 0.0 110.309 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.48 ' OD1' ' NE2' ' A' ' 52' ' ' GLN . 55.7 t30 -131.94 4.24 4.13 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.355 -0.841 . . . . 0.0 109.498 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.41 7.83 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.5 107.18 14.05 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -79.21 136.94 37.23 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' B' ' 78' ' ' THR . 9.0 t -90.57 111.69 49.0 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.63 -49.52 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.163 0 C-N-CA 121.63 1.553 . . . . 0.0 114.73 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.14 -42.98 2.45 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.9 p90 -59.02 -50.03 75.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.182 -1.574 . . . . 0.0 111.729 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.1 t30 -72.87 -41.94 64.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.215 -1.553 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -50.08 75.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.993 . . . . 0.0 110.679 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.07 -44.39 96.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 47.5 p -70.08 -39.97 75.28 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.213 -0.929 . . . . 0.0 110.16 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.458 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 30.1 t-105 -66.18 -39.96 90.11 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.84 -1.162 . . . . 0.0 109.369 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.05 -42.83 95.3 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.567 -1.333 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.14 -41.55 92.95 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.458 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 59.0 t90 -60.01 -48.74 80.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.507 -0.746 . . . . 0.0 109.183 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.23 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.091 -1.006 . . . . 0.0 109.131 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.97 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.268 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -59.96 -42.27 93.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.884 -1.135 . . . . 0.0 110.002 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.08 -42.13 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.932 -1.105 . . . . 0.0 109.057 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.3 t0 -59.98 -46.86 88.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.375 -0.828 . . . . 0.0 110.497 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.55 -39.94 92.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.846 -1.159 . . . . 0.0 109.703 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.63 -41.62 88.05 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.026 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.19 -49.21 78.52 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.128 -0.983 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.86 -43.73 97.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.304 -0.872 . . . . 0.0 109.42 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.523 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.4 t-20 -60.07 -48.37 82.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.05 -44.88 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.344 -0.847 . . . . 0.0 109.603 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -59.93 -42.9 94.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.153 -0.967 . . . . 0.0 109.199 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.73 84.7 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.155 -0.965 . . . . 0.0 108.748 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.93 -46.72 88.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.425 -0.797 . . . . 0.0 109.544 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.28 -41.14 96.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.244 -0.91 . . . . 0.0 109.257 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.03 -47.83 84.24 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.274 -0.891 . . . . 0.0 109.151 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.38 -40.08 93.06 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.22 94.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.286 -0.884 . . . . 0.0 109.502 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.06 -48.73 80.52 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.12 -46.34 93.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.228 -0.92 . . . . 0.0 109.155 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.48 -40.99 96.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.94 -50.09 75.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.154 -0.967 . . . . 0.0 108.875 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.531 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -61.18 -39.99 92.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.219 -0.926 . . . . 0.0 109.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.34 -40.01 95.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.978 -1.076 . . . . 0.0 109.234 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' B' ' 115' ' ' MET . 1.4 tmt? -69.74 -40.05 76.4 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' TYR . . . . . 0.476 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 65.2 t80 -59.99 -47.25 86.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.452 -0.78 . . . . 0.0 109.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.99 -40.19 88.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.446 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.3 95.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.877 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' LYS . . . . . 0.476 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.7 mmtm -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.111 -0.993 . . . . 0.0 109.13 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 121' ' ' LEU . 83.5 mt -59.33 -46.81 87.58 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -124.7 59.93 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.683 -0.636 . . . . 0.0 109.537 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.468 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.244 0.545 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 88.1 mt-30 -74.11 144.32 44.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.211 -0.931 . . . . 0.0 109.239 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.8 59.16 4.94 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.037 -1.039 . . . . 0.0 108.655 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.02 -39.94 94.13 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.492 -0.755 . . . . 0.0 109.177 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.524 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.2 t -60.31 -43.96 95.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.353 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.524 ' N ' HG23 ' C' ' 5' ' ' THR . 62.8 tp -62.56 -42.1 99.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 108.697 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.3 -40.1 92.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.32 -0.862 . . . . 0.0 109.616 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.27 88.48 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.207 -0.933 . . . . 0.0 108.554 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.51 -45.37 60.06 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -47.73 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.398 -1.06 . . . . 0.0 109.365 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.96 -40.42 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.473 ' NE2' ' C ' ' C' ' 12' ' ' GLN . 0.8 OUTLIER -61.63 -40.0 93.31 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -60.06 -44.05 94.98 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.862 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.95 -40.46 93.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -42.77 94.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.008 -1.057 . . . . 0.0 109.197 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.438 ' OE1' ' NE2' ' C' ' 12' ' ' GLN . 28.7 mt-30 -62.23 -40.06 94.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.73 -40.13 91.86 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.273 -0.892 . . . . 0.0 109.391 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.9 -40.78 98.62 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.0 -49.63 76.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 109.862 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.98 -40.94 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.04 -1.038 . . . . 0.0 109.79 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -43.16 91.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.13 -40.29 95.85 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.497 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 30.0 mmt180 -60.53 -40.18 90.56 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.18 -40.09 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.319 -0.863 . . . . 0.0 109.302 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -59.94 -43.25 95.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.616 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.65 -39.97 80.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.941 -1.099 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.0 -40.16 96.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 109.182 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.13 -40.09 88.57 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.553 -0.717 . . . . 0.0 109.711 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.57 -40.04 90.2 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.066 -1.021 . . . . 0.0 109.599 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.6 mt -61.93 -41.64 98.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 109.967 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.6 p -63.97 -40.0 95.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.755 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.25 -40.46 86.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 0.0 109.291 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.01 -42.83 95.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -0.84 . . . . 0.0 110.377 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.53 93.99 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.18 -49.33 78.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 0.0 109.966 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -60.02 -39.96 87.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.087 -1.008 . . . . 0.0 109.986 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.93 -40.1 87.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.922 -1.111 . . . . 0.0 109.363 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.149 -0.969 . . . . 0.0 108.994 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.98 -39.96 87.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.439 -0.788 . . . . 0.0 109.386 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.2 p -59.99 -41.06 91.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.873 -1.142 . . . . 0.0 108.431 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.59 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.4 mtt-85 -63.52 -40.02 95.95 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -40.72 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.404 -0.81 . . . . 0.0 109.147 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.6 p -60.44 -39.97 89.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.867 -1.145 . . . . 0.0 109.246 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.56 -40.05 77.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.847 -1.158 . . . . 0.0 109.041 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.41 -43.72 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.411 -0.806 . . . . 0.0 111.05 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.48 -39.92 92.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.399 -1.438 . . . . 0.0 108.105 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.98 -43.4 95.13 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.285 -0.966 . . . . 0.0 108.523 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.544 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.5 m-85 -65.33 -40.19 93.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.91 -1.119 . . . . 0.0 110.046 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.758 -1.214 . . . . 0.0 109.144 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.845 -1.159 . . . . 0.0 108.515 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 48.9 t0 -59.93 -39.72 86.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 109.127 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.581 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -59.98 -39.41 85.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.969 -1.082 . . . . 0.0 108.932 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.43 80.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.996 -1.065 . . . . 0.0 108.39 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -59.93 -40.12 87.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.0 108.74 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.65 118.02 11.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.0 108.339 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 35.4 m120 -132.9 -63.0 0.79 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.359 -0.838 . . . . 0.0 110.466 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.794 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.05 116.88 4.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.197 -0.94 . . . . 0.0 110.3 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.798 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 92.3 m95 -103.16 131.42 50.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.481 -0.762 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.59 20.43 67.98 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.044 -1.075 . . . . 0.0 110.62 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -74.83 23.24 0.1 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.927 -1.337 . . . . 0.0 108.985 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -162.4 107.42 1.19 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -108.75 11.77 26.13 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.164 -0.96 . . . . 0.0 110.233 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 56.3 mtp180 -142.09 25.8 1.89 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.124 -0.985 . . . . 0.0 108.878 177.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.79 152.29 38.53 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.3 t -103.09 59.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.254 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.1 156.29 41.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.369 -0.832 . . . . 0.0 109.445 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -131.53 133.11 44.73 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.535 HG23 ' O ' ' C' ' 68' ' ' THR . 6.0 t -91.92 114.62 27.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.832 -1.168 . . . . 0.0 109.376 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.525 HG23 ' O ' ' C' ' 69' ' ' THR . 6.7 t -112.81 120.02 40.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.564 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 84.9 t -122.95 86.18 50.65 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -86.97 63.34 4.34 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.984 2.456 . . . . 0.0 111.88 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.442 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 16.6 t90 -69.92 136.61 87.44 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.444 -0.785 . . . . 0.0 109.172 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.442 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 87.2 Cg_exo -42.25 146.86 0.6 Allowed 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 120.909 1.073 . . . . 0.0 110.218 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.53 ' OD1' ' NE2' ' B' ' 52' ' ' GLN . 55.1 t30 -132.28 4.11 4.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.09 7.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.564 -0.71 . . . . 0.0 109.159 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.14 107.33 13.85 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -79.17 136.73 37.19 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' C' ' 78' ' ' THR . 8.8 t -90.41 111.78 49.2 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -92.56 -49.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.74 1.626 . . . . 0.0 114.792 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.17 -42.61 2.47 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.198 -0.939 . . . . 0.0 113.528 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.0 p90 -59.29 -49.97 75.78 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.17 -1.581 . . . . 0.0 111.757 -175.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.64 ' ND2' HH21 ' B' ' 41' ' ' ARG . 57.4 t30 -72.98 -41.76 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.109 -1.619 . . . . 0.0 110.635 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.01 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 110.441 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.23 -44.3 96.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.846 -1.158 . . . . 0.0 109.526 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -70.0 -39.97 75.55 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.025 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 30.1 t-105 -66.32 -39.96 89.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.824 -1.172 . . . . 0.0 109.351 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.05 -42.93 95.55 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.114 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -41.54 92.3 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.474 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.04 -49.42 77.72 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.4 -40.19 95.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 109.268 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -59.99 -46.36 89.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.307 -0.87 . . . . 0.0 110.375 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.02 -42.14 93.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.925 -1.11 . . . . 0.0 110.047 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.61 -41.96 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.961 -1.087 . . . . 0.0 108.933 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.0 -47.07 87.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.24 -40.05 93.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.784 -1.197 . . . . 0.0 109.853 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.51 -41.6 88.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.017 -1.052 . . . . 0.0 109.106 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -49.16 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.206 -0.934 . . . . 0.0 109.001 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.79 -44.16 97.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.303 -0.873 . . . . 0.0 109.26 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.582 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.2 t-20 -60.04 -48.15 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.295 -0.878 . . . . 0.0 109.507 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.0 -44.84 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.198 -0.939 . . . . 0.0 109.539 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -60.02 -42.51 94.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.63 85.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.106 -0.996 . . . . 0.0 108.816 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.96 -46.5 89.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.532 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.5 -41.08 96.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.225 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -47.91 83.87 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.204 -0.935 . . . . 0.0 109.199 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.29 -39.94 93.18 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.264 -0.898 . . . . 0.0 109.299 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.19 94.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.35 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -48.64 80.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.077 -1.014 . . . . 0.0 109.535 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.11 -46.32 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.133 -0.979 . . . . 0.0 109.263 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.498 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.907 . . . . 0.0 108.868 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.2 -42.62 95.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.577 -0.702 . . . . 0.0 109.408 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.6 -39.91 94.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.034 -1.041 . . . . 0.0 109.318 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' MET . . . . . 0.424 ' C ' ' SD ' ' C' ' 115' ' ' MET . 1.4 tmt? -69.88 -40.02 75.94 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 116' ' ' TYR . . . . . 0.431 ' OH ' ' NZ ' ' C' ' 120' ' ' LYS . 64.8 t80 -59.96 -47.25 86.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.399 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.03 -40.16 88.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.48 -0.763 . . . . 0.0 109.473 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.2 mt-30 -60.36 -42.61 96.12 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.109 -0.995 . . . . 0.0 109.997 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 120' ' ' LYS . . . . . 0.431 ' NZ ' ' OH ' ' C' ' 116' ' ' TYR . 39.8 mmtm -59.94 -38.69 83.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.963 . . . . 0.0 109.381 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 121' ' ' LEU . 83.0 mt -59.96 -46.68 88.63 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -124.86 60.2 1.2 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.259 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' B' ' 2' ' ' GLN . 26.2 mm100 -69.69 143.87 53.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.565 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -90.56 61.42 4.89 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.249 -0.907 . . . . 0.0 109.196 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.35 -39.95 94.81 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.895 . . . . 0.0 109.332 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 5.4 t -60.2 -45.6 92.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.186 -0.946 . . . . 0.0 109.7 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 58.7 tp -60.17 -43.13 96.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.12 -0.988 . . . . 0.0 108.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.76 -40.0 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.498 -0.751 . . . . 0.0 109.765 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 12' ' ' GLN . . . -59.76 -43.74 94.17 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.014 -1.054 . . . . 0.0 108.402 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.73 -47.23 88.46 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.625 -1.79 . . . . 0.0 108.625 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.72 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.349 -1.089 . . . . 0.0 109.446 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -47.87 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.005 -1.059 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' NE2' ' N ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -59.95 -40.0 87.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.145 -0.972 . . . . 0.0 109.692 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.48 92.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.033 . . . . 0.0 109.166 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.95 -41.17 95.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.942 -1.099 . . . . 0.0 109.142 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.08 -43.8 95.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.22 -41.16 97.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -41.96 99.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.054 . . . . 0.0 109.327 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.0 -45.07 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.09 -47.2 86.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.06 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.42 -40.47 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.989 -1.069 . . . . 0.0 109.838 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.97 -41.54 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.17 -0.956 . . . . 0.0 108.934 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.44 -40.46 94.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.536 -0.727 . . . . 0.0 109.134 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.1 mmt180 -60.25 -40.6 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.219 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.46 -39.91 89.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.211 -0.93 . . . . 0.0 109.32 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.12 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.0 109.39 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.86 -43.84 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.23 -0.919 . . . . 0.0 109.665 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.82 -40.1 94.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.903 . . . . 0.0 109.705 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.04 -40.42 89.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.65 -40.24 91.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.9 mt -62.73 -40.54 97.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.062 -1.024 . . . . 0.0 110.041 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 p -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.928 -1.108 . . . . 0.0 109.807 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.319 -0.863 . . . . 0.0 109.102 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -60.06 -42.33 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -47.37 91.35 Favored Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.672 -1.251 . . . . 0.0 110.137 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -49.92 75.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.109 -1.23 . . . . 0.0 109.309 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 0.0 109.922 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.669 HD21 HH21 ' A' ' 41' ' ' ARG . 51.7 t-20 -59.88 -40.09 87.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.965 -1.084 . . . . 0.0 109.373 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.17 -40.14 92.76 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.03 -1.044 . . . . 0.0 109.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.92 -40.4 88.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.095 -1.003 . . . . 0.0 109.77 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.9 p -60.03 -40.17 88.44 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.669 HH21 HD21 ' A' ' 37' ' ' ASN . 27.4 mtt-85 -63.06 -40.03 96.47 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -40.88 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.247 -0.908 . . . . 0.0 108.861 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.0 p -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.5 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.12 85.22 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.422 -1.424 . . . . 0.0 108.454 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.12 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 0.0 109.689 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.04 -40.04 88.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.068 -1.02 . . . . 0.0 109.313 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.84 -39.94 95.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.384 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 44.4 m-85 -65.24 -39.19 92.38 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.04 -39.6 86.48 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.952 -1.093 . . . . 0.0 108.392 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.09 -39.92 87.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.568 -1.333 . . . . 0.0 108.291 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 54.2 t0 -60.14 -38.4 82.97 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 4.0 tm0? -59.05 -39.89 83.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.114 -0.992 . . . . 0.0 109.187 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.02 -38.67 83.37 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 120.756 -1.215 . . . . 0.0 108.376 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.96 -40.01 87.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.802 . . . . 0.0 110.087 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD12 ' NE2' ' B' ' 52' ' ' GLN . 55.0 mt -74.91 114.21 13.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.192 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -133.5 -55.28 0.9 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.389 -0.82 . . . . 0.0 110.242 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.653 ' HB3' HG23 ' A' ' 68' ' ' THR . . . -155.57 115.79 3.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.066 -1.021 . . . . 0.0 110.029 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -102.1 118.87 37.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.364 -0.835 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.17 27.66 73.53 Favored Glycine 0 N--CA 1.494 2.525 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.166 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 21.99 0.1 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.545 -1.562 . . . . 0.0 109.289 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.52 114.31 1.85 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.146 -0.971 . . . . 0.0 109.474 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 34.5 m-85 -115.05 11.8 16.53 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.399 -0.813 . . . . 0.0 110.524 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 51.3 mtp180 -140.09 25.46 2.29 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.935 -1.103 . . . . 0.0 108.081 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 42.2 mt-30 -141.7 152.89 44.27 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.17 56.45 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.65 156.17 40.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.493 -0.755 . . . . 0.0 109.437 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -132.02 133.24 44.21 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -91.02 110.1 21.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.294 -179.262 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 69' ' ' THR . 9.1 t -118.43 122.79 43.63 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -126.56 85.7 59.88 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.528 -0.732 . . . . 0.0 109.921 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -86.95 60.82 4.08 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 C-N-CA 122.692 2.261 . . . . 0.0 111.019 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.0 t90 -69.97 135.45 87.45 Favored Pre-proline 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 109.353 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.1 Cg_exo -40.28 150.09 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.441 1.427 . . . . 0.0 110.626 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 38.5 t30 -127.31 -57.12 1.31 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.287 -0.883 . . . . 0.0 109.605 -178.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.29 126.68 35.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.027 -1.046 . . . . 0.0 108.548 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.7 p -80.93 110.75 16.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.872 -1.142 . . . . 0.0 108.043 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.4 mt -79.55 135.09 36.52 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.491 0.662 . . . . 0.0 110.243 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 78' ' ' THR . 6.4 t -93.5 113.7 60.92 Favored Pre-proline 0 N--CA 1.493 1.721 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -92.18 -48.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.744 1.629 . . . . 0.0 114.418 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.47 -43.93 2.38 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.8 p90 -60.04 -47.33 86.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.366 -1.459 . . . . 0.0 112.415 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 61.6 t30 -71.15 -45.04 64.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.012 -1.68 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.051 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.12 -44.54 97.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.783 -1.198 . . . . 0.0 109.404 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.8 p -69.95 -40.07 75.68 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.853 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -69.05 -40.09 78.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.987 -1.07 . . . . 0.0 109.497 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.02 -41.31 91.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.687 -1.258 . . . . 0.0 108.846 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.04 -40.11 94.64 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.049 -1.032 . . . . 0.0 108.64 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.449 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.7 t90 -59.99 -50.05 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -0.785 . . . . 0.0 109.18 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -63.15 -41.76 99.34 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.15 -0.969 . . . . 0.0 109.612 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.04 -42.42 94.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.0 -42.26 93.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.836 -1.165 . . . . 0.0 108.941 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.352 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.54 -40.28 90.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.116 -0.99 . . . . 0.0 110.893 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.79 -40.05 79.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.851 -1.156 . . . . 0.0 109.755 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.38 -40.28 89.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 109.518 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.29 -44.36 95.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.964 -1.085 . . . . 0.0 109.771 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -47.4 85.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.107 -0.996 . . . . 0.0 109.417 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.519 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -59.97 -46.59 88.94 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.604 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.04 -44.69 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.259 -0.9 . . . . 0.0 109.687 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 p -60.34 -42.37 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.735 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.081 -1.012 . . . . 0.0 109.505 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.99 -45.62 92.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.434 -0.791 . . . . 0.0 109.506 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -41.59 92.39 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.164 -0.96 . . . . 0.0 109.497 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.02 -46.64 88.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.107 -0.996 . . . . 0.0 109.708 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.43 95.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.048 -1.032 . . . . 0.0 109.475 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.73 86.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.262 -0.899 . . . . 0.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.443 ' O ' ' OE1' ' A' ' 112' ' ' GLU . 94.9 mt-30 -60.79 -43.67 97.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.115 -0.991 . . . . 0.0 109.727 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.86 -39.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.926 -1.109 . . . . 0.0 109.22 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -69.56 -39.98 77.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.583 -0.698 . . . . 0.0 109.936 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.99 -49.22 78.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.151 -0.968 . . . . 0.0 109.972 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.566 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.3 mp0 -60.02 -43.14 95.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.984 -1.073 . . . . 0.0 109.258 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -61.01 -41.43 96.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.058 -1.026 . . . . 0.0 110.18 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.37 -48.43 79.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.825 -1.172 . . . . 0.0 109.834 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.98 -39.91 95.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.094 -1.004 . . . . 0.0 109.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -60.03 -47.28 86.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.31 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.19 -40.07 96.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 109.21 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.07 -42.86 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.27 -40.03 92.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.092 -1.005 . . . . 0.0 109.666 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.49 -40.06 89.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.634 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.24 -46.92 87.19 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.77 60.54 0.9 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' GLN . 4.4 p . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.114 -0.991 . . . . 0.0 109.225 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 25.9 mm100 -70.03 143.86 52.39 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -90.47 61.52 4.98 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.282 -0.886 . . . . 0.0 109.278 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.29 -40.02 94.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 109.404 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.5 t -60.29 -45.39 93.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' B' ' 5' ' ' THR . 59.1 tp -60.35 -43.26 96.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.01 -1.056 . . . . 0.0 108.76 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.55 -39.96 89.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.499 -0.75 . . . . 0.0 109.885 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' B' ' 12' ' ' GLN . . . -59.95 -43.6 94.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.131 -0.981 . . . . 0.0 108.473 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.76 -47.36 87.14 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -49.71 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.407 -1.055 . . . . 0.0 109.43 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.95 -47.62 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.022 -1.049 . . . . 0.0 109.469 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 12' ' ' GLN . 0.2 OUTLIER -60.15 -40.07 88.57 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 109.501 179.412 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.96 -41.4 91.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.078 -1.014 . . . . 0.0 109.187 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.12 -41.07 96.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.23 -43.55 95.96 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 109.181 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -64.31 -41.14 96.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.312 -0.867 . . . . 0.0 109.577 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.11 -42.3 99.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.969 . . . . 0.0 109.322 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.01 -44.88 94.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.277 -0.89 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.03 -47.25 86.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.03 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.43 -40.56 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.98 -41.2 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.115 -0.99 . . . . 0.0 109.103 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.72 -40.19 94.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.439 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.4 mmt180 -60.64 -40.54 92.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 109.064 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.51 -39.99 89.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 109.239 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -60.04 -49.12 78.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.43 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.28 -43.55 98.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.06 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 109.693 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.95 -40.53 89.32 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.388 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.65 -40.3 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.109 -0.994 . . . . 0.0 110.038 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.7 mt -62.62 -40.5 97.18 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.145 -0.972 . . . . 0.0 110.047 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.6 p -63.04 -40.0 96.42 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.957 -1.089 . . . . 0.0 109.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.16 -40.05 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -0.905 . . . . 0.0 109.009 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -60.07 -42.28 94.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.44 -0.787 . . . . 0.0 110.214 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.31 91.61 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.141 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -49.82 76.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.057 -1.261 . . . . 0.0 109.434 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.04 -39.96 87.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.0 109.877 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.653 HD21 HH21 ' B' ' 41' ' ' ARG . 51.6 t-20 -60.02 -39.99 87.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.035 -1.041 . . . . 0.0 109.426 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.15 -40.2 92.95 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.088 -1.007 . . . . 0.0 109.857 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.95 -40.26 88.41 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.031 -1.043 . . . . 0.0 109.724 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -59.98 -40.6 89.68 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.653 HH21 HD21 ' B' ' 37' ' ' ASN . 27.5 mtt-85 -62.86 -39.91 95.84 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.83 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.18 -0.95 . . . . 0.0 108.914 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -59.94 -40.05 87.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.032 -1.043 . . . . 0.0 108.461 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.17 84.5 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.433 -1.417 . . . . 0.0 108.445 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.17 -39.92 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.507 -0.745 . . . . 0.0 109.591 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.14 -40.02 88.36 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.084 -1.01 . . . . 0.0 109.336 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.78 -40.03 95.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.827 -1.171 . . . . 0.0 109.435 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 44.8 m-85 -65.1 -39.14 92.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.052 -1.03 . . . . 0.0 109.792 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.97 -1.081 . . . . 0.0 108.386 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.582 -1.324 . . . . 0.0 108.362 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.02 -38.72 83.49 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 4.0 tm0? -58.78 -39.98 82.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.071 -1.018 . . . . 0.0 109.122 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.481 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -59.97 -38.65 83.16 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 120.735 -1.228 . . . . 0.0 108.359 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.367 -0.833 . . . . 0.0 110.025 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt -74.92 113.84 12.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.251 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -133.23 -55.36 0.91 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.454 -0.779 . . . . 0.0 110.26 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.635 ' HB3' HG23 ' B' ' 68' ' ' THR . . . -155.48 115.68 3.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.095 -1.003 . . . . 0.0 109.988 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -101.99 118.94 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.424 -0.797 . . . . 0.0 110.376 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.08 27.64 73.52 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.107 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 22.19 0.1 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.448 -1.619 . . . . 0.0 109.311 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -161.68 114.18 1.8 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.286 -0.884 . . . . 0.0 109.498 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.505 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 34.7 m-85 -114.98 11.74 16.58 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 110.568 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 52.2 mtp180 -140.13 25.44 2.28 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 42.0 mt-30 -141.59 152.84 44.39 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.26 56.54 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.5 156.03 40.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.532 -0.73 . . . . 0.0 109.528 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -131.75 133.3 44.64 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.635 HG23 ' HB3' ' B' ' 57' ' ' ALA . 0.0 OUTLIER -91.21 109.96 21.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.63 -1.294 . . . . 0.0 109.331 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 69' ' ' THR . 8.9 t -118.45 122.68 43.35 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.33 85.82 59.32 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.618 -0.676 . . . . 0.0 109.869 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.89 60.74 4.12 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 122.677 2.252 . . . . 0.0 110.944 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -69.98 135.54 87.43 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 121.642 -0.661 . . . . 0.0 109.25 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.7 Cg_exo -40.37 150.17 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.412 1.408 . . . . 0.0 110.506 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 38.9 t30 -127.31 -57.37 1.3 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.241 -0.912 . . . . 0.0 109.49 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.02 126.84 35.6 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.134 -0.979 . . . . 0.0 108.536 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -81.0 110.78 16.87 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.92 -1.112 . . . . 0.0 108.038 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.64 134.95 36.45 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.616 0.722 . . . . 0.0 110.272 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.568 HG23 ' O ' ' B' ' 78' ' ' THR . 6.6 t -93.43 113.66 60.77 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -92.17 -48.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.849 1.7 . . . . 0.0 114.379 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -121.56 -43.98 2.37 Favored 'General case' 0 N--CA 1.508 2.443 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -59.96 -47.48 85.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.345 -1.472 . . . . 0.0 112.322 -175.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 61.5 t30 -71.16 -45.02 64.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.013 -1.68 . . . . 0.0 109.991 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.97 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.849 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.32 -44.28 97.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.829 -1.169 . . . . 0.0 109.571 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.7 p -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.074 -1.016 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -69.3 -39.97 77.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.04 -1.037 . . . . 0.0 109.483 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.0 -41.48 92.18 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 120.801 -1.187 . . . . 0.0 108.854 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.0 -40.12 94.57 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.117 -0.989 . . . . 0.0 108.621 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.0 t90 -59.95 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.521 -0.737 . . . . 0.0 109.18 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -63.24 -41.84 99.14 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.334 -0.853 . . . . 0.0 109.522 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -60.08 -42.25 94.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 110.47 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.1 -42.17 94.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.702 -1.248 . . . . 0.0 108.974 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.89 -40.53 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.228 -0.92 . . . . 0.0 109.343 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.84 -40.02 91.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.132 -0.98 . . . . 0.0 110.836 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -69.0 -40.02 78.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.818 -1.176 . . . . 0.0 109.673 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.5 -40.37 89.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.119 -0.988 . . . . 0.0 109.571 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -44.27 96.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 109.832 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.48 85.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.559 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.6 t-20 -59.96 -46.53 89.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.324 -0.86 . . . . 0.0 109.667 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.04 -44.58 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.263 -0.898 . . . . 0.0 109.716 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 37.7 p -60.54 -42.5 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.983 -1.073 . . . . 0.0 109.734 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.08 78.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 109.45 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.97 -45.59 92.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 109.728 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.08 -41.65 92.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.36 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.01 -46.84 88.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.612 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.41 -40.76 96.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.983 -1.073 . . . . 0.0 109.486 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.25 87.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.234 -0.916 . . . . 0.0 109.586 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 112' ' ' GLU . 95.1 mt-30 -60.45 -43.61 96.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 109.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.0 -39.96 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.865 -1.147 . . . . 0.0 109.212 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -69.53 -39.99 77.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.528 -0.732 . . . . 0.0 109.96 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -60.03 -49.12 78.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 0.0 109.93 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 3.3 mp0 -60.07 -43.0 95.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 109.262 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -61.12 -41.46 96.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.099 -1.0 . . . . 0.0 110.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -62.46 -48.38 79.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.822 -1.174 . . . . 0.0 109.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 109.131 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -60.1 -47.16 87.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.383 -0.823 . . . . 0.0 109.303 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.12 -40.26 97.08 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.148 -0.97 . . . . 0.0 109.246 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.1 -42.84 95.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.364 -0.835 . . . . 0.0 109.887 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -61.36 -39.98 92.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.966 -1.084 . . . . 0.0 109.645 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.32 -39.99 88.99 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.434 -0.791 . . . . 0.0 109.692 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.56 -46.86 87.67 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.82 60.73 0.9 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 119' ' ' GLN . 4.3 p . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.088 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 26.1 mm100 -69.95 143.92 52.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.281 -0.887 . . . . 0.0 109.641 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -90.47 61.38 4.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.303 -0.873 . . . . 0.0 109.208 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.46 -40.03 95.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 109.417 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' C' ' 6' ' ' LEU . 5.7 t -60.19 -45.45 93.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.117 -0.989 . . . . 0.0 109.732 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' C' ' 5' ' ' THR . 58.7 tp -60.12 -43.34 95.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.905 -1.122 . . . . 0.0 108.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.68 -39.84 89.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 0.0 109.772 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ALA . . . . . 0.542 ' O ' ' NE2' ' C' ' 12' ' ' GLN . . . -59.95 -43.84 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.064 -1.023 . . . . 0.0 108.471 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.58 -47.24 88.77 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.571 -1.811 . . . . 0.0 108.571 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.68 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.301 -1.117 . . . . 0.0 109.432 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.04 -47.92 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.965 -1.084 . . . . 0.0 109.364 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' C' ' 8' ' ' ALA . 1.0 OUTLIER -59.92 -40.09 87.69 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.108 -0.995 . . . . 0.0 109.586 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.16 91.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.122 -0.986 . . . . 0.0 109.228 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.21 -41.14 96.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.074 -1.016 . . . . 0.0 109.157 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -43.85 95.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.356 -0.84 . . . . 0.0 109.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -64.36 -40.85 96.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.29 -0.881 . . . . 0.0 109.543 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.26 -42.43 99.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.13 -0.981 . . . . 0.0 109.284 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.98 -44.93 94.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 108.774 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.02 -47.11 87.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.257 -0.902 . . . . 0.0 110.047 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.49 -40.57 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.939 -1.101 . . . . 0.0 109.838 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.98 -41.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.074 -1.016 . . . . 0.0 108.939 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.58 -40.12 93.62 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.518 -0.739 . . . . 0.0 109.213 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.519 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.61 -40.5 92.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.135 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.59 -40.05 90.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.181 -0.949 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -59.9 -49.1 79.01 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 109.503 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.47 -43.38 98.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 109.567 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.21 -40.09 94.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.354 -0.841 . . . . 0.0 109.664 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.93 -40.45 88.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.68 -40.41 92.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.298 -0.876 . . . . 0.0 110.093 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.449 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -62.64 -40.41 96.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.146 -0.971 . . . . 0.0 110.05 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 63.3 p -63.07 -40.0 96.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.989 -1.07 . . . . 0.0 109.699 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 108.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -59.91 -42.46 93.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.368 -0.832 . . . . 0.0 110.372 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.1 92.69 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.513 -1.327 . . . . 0.0 110.135 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.05 -49.89 75.86 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.961 -1.317 . . . . 0.0 109.443 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.98 -39.95 87.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 109.849 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.656 HD21 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -60.07 -39.95 87.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.082 -1.012 . . . . 0.0 109.308 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.99 -40.12 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.062 -1.024 . . . . 0.0 109.929 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.035 -1.041 . . . . 0.0 109.741 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 70.6 p -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.656 HH21 HD21 ' C' ' 37' ' ' ASN . 27.2 mtt-85 -63.16 -39.95 96.14 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -40.75 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.235 -0.915 . . . . 0.0 108.738 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.8 p -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.475 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -45.12 85.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 108.451 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.21 -40.05 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.11 -39.91 87.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.109 -0.994 . . . . 0.0 109.416 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.93 -40.03 95.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.877 -1.14 . . . . 0.0 109.436 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 44.2 m-85 -64.89 -39.29 93.29 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 109.852 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.97 -39.76 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 108.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.464 -1.397 . . . . 0.0 108.318 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' C' ' 51' ' ' ASP . 55.3 t0 -60.04 -38.33 82.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.0 108.614 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 4.0 tm0? -59.16 -39.96 84.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.108 -0.995 . . . . 0.0 109.146 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.482 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -59.98 -38.7 83.34 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.79 -1.194 . . . . 0.0 108.333 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -60.01 -39.95 87.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.801 . . . . 0.0 110.041 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.442 HD12 ' NE2' ' A' ' 52' ' ' GLN . 54.7 mt -74.83 113.99 12.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.908 -1.12 . . . . 0.0 109.162 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -133.33 -55.45 0.91 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.459 -0.775 . . . . 0.0 110.182 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.646 ' HB3' HG23 ' C' ' 68' ' ' THR . . . -155.57 115.6 3.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.164 -0.96 . . . . 0.0 110.113 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -101.87 118.79 37.64 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.366 -0.834 . . . . 0.0 110.424 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.38 27.21 73.5 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.191 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.35 22.29 0.09 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.518 -1.578 . . . . 0.0 109.374 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -161.78 114.19 1.78 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.182 -0.949 . . . . 0.0 109.576 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 34.8 m-85 -115.02 12.03 16.61 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.402 -0.811 . . . . 0.0 110.54 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' B' ' 63' ' ' ARG . 51.3 mtp180 -140.25 25.3 2.27 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 64' ' ' GLN . . . . . 0.505 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 42.3 mt-30 -141.61 152.86 44.38 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.21 56.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.047 . . . . 0.0 108.199 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.42 156.14 40.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.597 -0.69 . . . . 0.0 109.481 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -131.86 133.26 44.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.646 HG23 ' HB3' ' C' ' 57' ' ' ALA . 0.0 OUTLIER -91.09 110.0 21.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.643 -1.285 . . . . 0.0 109.309 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.514 HG23 ' O ' ' C' ' 69' ' ' THR . 8.8 t -118.37 122.72 43.54 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 85.0 t -126.47 85.8 59.55 Favored Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.554 -0.716 . . . . 0.0 109.83 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -86.85 60.7 4.15 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 C-N-CA 122.703 2.269 . . . . 0.0 111.099 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' C' ' 73' ' ' PRO . 16.1 t90 -69.85 135.25 87.74 Favored Pre-proline 0 C--N 1.302 -1.461 0 O-C-N 121.591 -0.693 . . . . 0.0 109.352 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' C' ' 72' ' ' TRP . 99.9 Cg_exo -40.13 150.26 0.11 Allowed 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.388 1.392 . . . . 0.0 110.628 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 38.8 t30 -127.45 -57.4 1.29 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.329 -0.857 . . . . 0.0 109.58 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.04 126.74 35.56 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -81.08 110.83 16.97 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.865 -1.147 . . . . 0.0 107.971 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt -79.8 134.99 36.38 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.581 0.705 . . . . 0.0 110.212 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.546 HG23 ' O ' ' C' ' 78' ' ' THR . 6.4 t -93.47 113.47 60.28 Favored Pre-proline 0 N--CA 1.494 1.746 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -91.98 -48.17 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.705 1.603 . . . . 0.0 114.403 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -121.57 -43.91 2.37 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.172 -0.955 . . . . 0.0 113.52 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.359 -1.463 . . . . 0.0 112.39 -175.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.0 t30 -71.18 -44.98 64.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.067 -1.646 . . . . 0.0 109.986 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.03 -50.02 75.37 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.182 -0.949 . . . . 0.0 109.916 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.07 -44.31 97.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.837 -1.165 . . . . 0.0 109.523 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 81' ' ' TRP . 74.5 p -70.03 -39.96 75.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -69.34 -40.06 77.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.993 -1.067 . . . . 0.0 109.514 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -60.0 -41.25 91.69 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.832 -1.168 . . . . 0.0 108.843 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.18 -40.03 94.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.038 -1.039 . . . . 0.0 108.716 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.9 t90 -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.47 -0.769 . . . . 0.0 109.123 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -63.33 -41.5 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.63 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.17 -42.42 94.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.105 -0.997 . . . . 0.0 110.403 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -59.91 -42.37 93.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.783 -1.198 . . . . 0.0 109.082 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.72 -40.92 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.335 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.55 -40.14 90.5 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.084 -1.01 . . . . 0.0 110.813 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -68.89 -39.92 79.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.941 -1.099 . . . . 0.0 109.684 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.12 -0.988 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.19 -44.0 96.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.962 -1.086 . . . . 0.0 109.75 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.24 -47.54 85.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.149 -0.969 . . . . 0.0 109.428 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.439 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.7 t-20 -60.01 -46.44 89.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.29 -0.881 . . . . 0.0 109.63 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.01 -44.71 95.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.181 -0.949 . . . . 0.0 109.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 37.4 p -60.55 -42.41 96.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.988 -1.07 . . . . 0.0 109.677 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -49.01 79.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.128 -0.982 . . . . 0.0 109.463 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.303 -0.873 . . . . 0.0 109.542 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.99 -41.65 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -0.924 . . . . 0.0 109.496 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.06 -46.7 88.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.151 -0.968 . . . . 0.0 109.684 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.44 -40.58 96.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.934 -1.104 . . . . 0.0 109.598 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.9 86.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' C' ' 112' ' ' GLU . 94.8 mt-30 -60.73 -43.46 97.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.096 -1.002 . . . . 0.0 109.732 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -70.0 -40.08 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.906 -1.121 . . . . 0.0 109.208 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -69.59 -39.99 76.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.39 -0.819 . . . . 0.0 109.91 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.98 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 0.0 109.829 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 112' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 3.3 mp0 -59.95 -43.31 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.253 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.84 -41.72 96.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.158 -0.964 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -62.18 -48.42 80.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.921 -1.112 . . . . 0.0 109.931 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.7 ttp -63.77 -40.05 95.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.1 -1.0 . . . . 0.0 109.204 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.99 -47.27 86.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.803 . . . . 0.0 109.395 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.07 -39.99 96.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.138 -0.976 . . . . 0.0 109.213 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.34 -42.87 96.59 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 109.813 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.3 mt-30 -61.24 -40.27 93.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.026 -1.046 . . . . 0.0 109.624 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.05 -39.98 87.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.44 -0.787 . . . . 0.0 109.774 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.51 -46.95 87.36 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -120.7 60.51 0.9 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.571 -0.706 . . . . 0.0 109.134 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.414 ' N ' ' O ' ' C' ' 119' ' ' GLN . 4.5 p . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.272 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.3 mt-30 -69.99 144.3 52.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.088 -1.008 . . . . 0.0 109.327 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.75 57.73 4.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 108.874 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.39 -39.99 92.89 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.477 -0.764 . . . . 0.0 109.042 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.55 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.6 t -60.1 -45.4 93.09 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.329 -0.857 . . . . 0.0 109.557 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.55 ' N ' HG23 ' A' ' 5' ' ' THR . 62.7 tp -60.34 -44.39 95.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.084 -1.01 . . . . 0.0 108.697 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.3 -40.11 89.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.412 -0.805 . . . . 0.0 109.718 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.69 56.43 Favored Glycine 0 N--CA 1.487 2.062 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.83 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -1.149 . . . . 0.0 109.604 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.45 89.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.814 -1.179 . . . . 0.0 108.697 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.476 ' CG ' HE22 ' B' ' 110' ' ' GLN . 71.1 tp60 -60.7 -40.88 93.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.453 -0.779 . . . . 0.0 109.325 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' B' ' 110' ' ' GLN . 3.8 tp-100 -60.26 -42.16 94.74 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -59.98 -40.95 90.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.044 -1.035 . . . . 0.0 109.364 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.57 -42.49 96.74 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.55 -41.77 99.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.79 -42.11 98.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 0.0 109.149 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 104' ' ' LEU . 44.0 tp -59.92 -43.87 94.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.31 -0.869 . . . . 0.0 109.022 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 55.3 t0 -60.0 -45.45 92.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.817 . . . . 0.0 109.842 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.07 -39.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.762 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.096 -1.003 . . . . 0.0 108.538 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 63.6 tttm -60.33 -40.72 91.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.645 -0.659 . . . . 0.0 109.703 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 10.2 mpt_? -60.01 -41.24 91.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.24 -0.912 . . . . 0.0 109.492 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.92 -39.93 87.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.887 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.97 -49.41 77.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.0 109.826 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 10.5 mp0 -63.49 -40.42 97.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.67 -1.269 . . . . 0.0 109.66 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 HD13 ' B' ' 28' ' ' LEU . 27.5 tp -60.98 -41.65 96.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 109.682 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.12 -39.98 88.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.11 -40.55 90.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.121 -0.987 . . . . 0.0 109.642 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 98.0 mt -62.03 -40.42 95.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.037 -1.039 . . . . 0.0 109.535 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -63.55 -40.06 96.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.715 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.96 -39.98 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 109.232 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.0 -47.67 84.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.342 -0.849 . . . . 0.0 109.977 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.83 73.67 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.06 75.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.055 -1.262 . . . . 0.0 109.898 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.63 -40.04 90.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 0.0 109.683 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.06 -41.04 91.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.215 -0.928 . . . . 0.0 110.105 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.92 -40.11 94.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.064 -1.023 . . . . 0.0 110.008 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.78 95.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.2 p -61.86 -40.06 94.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 108.618 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 44.9 mtt-85 -67.78 -39.92 84.03 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.46 -40.85 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.52 -0.737 . . . . 0.0 109.16 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 40' ' ' THR . 41.7 p -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 109.237 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.99 93.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 108.53 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.18 -39.93 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -39.91 87.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.77 -41.89 98.29 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.841 -1.162 . . . . 0.0 108.564 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 44.9 m-85 -64.82 -40.05 94.58 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.506 -0.747 . . . . 0.0 109.533 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.581 -1.325 . . . . 0.0 109.267 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.02 -40.2 88.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.499 -1.376 . . . . 0.0 108.014 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.32 -39.73 91.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.466 -0.771 . . . . 0.0 109.068 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' C' ' 55' ' ' LEU . 2.3 tm0? -57.08 -40.01 76.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.011 -1.056 . . . . 0.0 108.349 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.73 77.83 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.23 -0.919 . . . . 0.0 108.654 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.97 -39.9 87.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 HD12 ' NE2' ' B' ' 52' ' ' GLN . 81.8 mt -71.31 116.45 11.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.922 -1.111 . . . . 0.0 108.761 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.528 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 33.2 m120 -133.42 -58.99 0.88 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.716 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.704 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.12 116.54 4.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.052 -1.03 . . . . 0.0 110.478 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.646 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 78.2 m95 -100.37 122.05 42.51 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.413 -0.805 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.08 26.77 72.49 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.971 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.48 23.38 0.16 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.581 -1.541 . . . . 0.0 109.594 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.78 105.92 1.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.817 -1.177 . . . . 0.0 110.677 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -104.57 11.83 33.8 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.187 -0.945 . . . . 0.0 109.372 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -131.78 23.63 4.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -149.92 152.69 35.42 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 t -102.72 57.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.15 -0.969 . . . . 0.0 108.854 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.18 158.28 42.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.391 -0.818 . . . . 0.0 109.849 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -126.14 133.3 51.64 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 68' ' ' THR . 7.4 t -90.46 115.47 27.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.585 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 69' ' ' THR . 8.9 t -114.22 121.62 44.28 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 98.6 t -121.99 83.97 44.57 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.584 -0.698 . . . . 0.0 109.205 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.44 62.95 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.616 2.211 . . . . 0.0 111.572 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 26.1 t90 -70.0 130.64 89.68 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.522 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.506 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 82.8 Cg_exo -41.65 148.41 0.32 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.25 1.3 . . . . 0.0 110.518 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 20.7 t-20 -130.95 -45.51 1.03 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.221 -0.925 . . . . 0.0 109.356 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.5 123.42 34.17 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.5 t -81.72 106.56 13.76 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.9 mt -81.2 134.75 35.67 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.751 0.786 . . . . 0.0 109.995 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 78' ' ' THR . 6.4 t -91.81 115.16 64.05 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -90.17 -48.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.368 1.379 . . . . 0.0 113.687 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -122.63 -43.71 2.26 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.65 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.94 -49.87 75.97 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.247 -1.533 . . . . 0.0 112.478 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.65 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 58.4 t30 -70.07 -42.56 72.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 119.901 -1.749 . . . . 0.0 109.405 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.04 -50.68 72.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 0.0 110.627 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.07 -43.0 99.78 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.3 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 81' ' ' TRP . 68.1 p -69.56 -40.06 77.03 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -67.86 -39.99 83.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.972 -1.08 . . . . 0.0 109.776 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -59.92 -40.88 90.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.919 -1.113 . . . . 0.0 109.057 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.29 -40.88 95.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.006 -1.059 . . . . 0.0 108.794 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.95 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.144 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.54 -39.91 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.342 -0.849 . . . . 0.0 109.616 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -63.72 -40.49 96.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.097 -1.002 . . . . 0.0 109.78 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -59.97 -43.3 95.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.99 -40.0 85.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.256 -0.903 . . . . 0.0 109.384 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.92 -40.73 94.29 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.935 . . . . 0.0 110.863 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -68.15 -39.99 82.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.802 -1.186 . . . . 0.0 109.207 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.91 -42.69 97.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.179 -0.95 . . . . 0.0 109.534 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -44.95 94.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.935 -1.103 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.62 -41.58 99.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 0.0 109.379 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -45.59 89.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.071 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.37 -46.22 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.389 -0.819 . . . . 0.0 109.464 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -60.06 -41.96 93.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.257 -0.902 . . . . 0.0 109.615 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.88 84.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.91 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.01 -45.25 93.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.848 . . . . 0.0 109.203 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.449 HD23 HD11 ' A' ' 18' ' ' LEU . 87.9 mt -60.56 -43.57 97.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.235 -0.916 . . . . 0.0 109.511 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.94 -45.24 93.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 108.984 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -40.61 97.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.458 -0.776 . . . . 0.0 109.753 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.87 95.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.342 -0.849 . . . . 0.0 109.224 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.14 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 109.476 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.478 ' CG2' ' NZ ' ' A' ' 113' ' ' LYS . 97.9 mt -69.79 -42.87 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.208 -0.933 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 57.0 tt0 -68.42 -39.97 81.39 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.136 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -60.04 -47.16 87.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.807 . . . . 0.0 109.359 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.18 -41.34 98.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.083 -1.01 . . . . 0.0 109.362 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.478 ' NZ ' ' CG2' ' A' ' 109' ' ' ILE . 56.0 mttp -62.48 -42.96 99.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.083 -1.011 . . . . 0.0 109.839 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -61.34 -45.42 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.898 -1.126 . . . . 0.0 109.615 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.99 -40.04 79.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 0.0 109.005 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.02 -46.25 90.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.335 -0.853 . . . . 0.0 108.91 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.2 -40.01 88.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.233 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.16 -42.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.98 -40.01 91.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.865 . . . . 0.0 109.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.17 -39.97 88.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 109.523 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.93 -48.55 81.22 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -116.1 58.3 0.75 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.556 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.1 mt-30 -70.02 144.14 52.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.933 . . . . 0.0 109.341 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.64 57.81 4.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 108.944 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -65.36 -39.99 93.03 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.027 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.06 -45.38 93.07 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.348 -0.845 . . . . 0.0 109.511 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' B' ' 5' ' ' THR . 63.3 tp -60.31 -44.6 95.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.106 -0.997 . . . . 0.0 108.645 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.28 -39.96 88.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.429 -0.794 . . . . 0.0 109.777 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.06 87.7 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.114 -0.991 . . . . 0.0 108.413 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.58 56.74 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -49.01 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.206 -1.173 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.49 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.909 -1.12 . . . . 0.0 108.76 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.42 ' CG ' HE22 ' C' ' 110' ' ' GLN . 71.0 tp60 -60.58 -40.93 93.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.344 -0.848 . . . . 0.0 109.263 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 3.8 tp-100 -60.09 -42.09 93.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 109.952 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.01 -40.94 91.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.976 -1.078 . . . . 0.0 109.466 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.301 -0.874 . . . . 0.0 109.24 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.27 -41.89 98.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.187 -0.945 . . . . 0.0 109.51 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.86 -42.04 98.57 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.179 -0.95 . . . . 0.0 109.194 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.444 HD11 HD23 ' B' ' 104' ' ' LEU . 43.4 tp -59.93 -43.67 94.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.302 -0.874 . . . . 0.0 109.04 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.503 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.98 -45.7 91.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.0 109.946 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.95 -39.96 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.168 -0.958 . . . . 0.0 109.71 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.49 83.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.047 -1.033 . . . . 0.0 108.542 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 63.9 tttm -60.34 -40.77 91.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.589 -0.694 . . . . 0.0 109.79 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.503 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 10.2 mpt_? -59.99 -41.14 91.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.516 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.138 -0.977 . . . . 0.0 109.0 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -49.29 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.803 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 10.5 mp0 -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.696 -1.252 . . . . 0.0 109.682 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.09 -41.69 97.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.653 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.412 HD13 HD23 ' A' ' 27' ' ' LEU . 26.1 mt -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.311 -0.868 . . . . 0.0 109.479 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -40.67 90.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.179 -0.951 . . . . 0.0 109.67 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.8 mt -61.93 -40.65 96.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.051 -1.03 . . . . 0.0 109.584 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.3 p -63.5 -39.98 95.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.655 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.98 -40.03 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.38 -0.825 . . . . 0.0 109.279 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -59.99 -47.41 85.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.438 -0.788 . . . . 0.0 110.111 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.64 -48.72 75.06 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.004 -1.291 . . . . 0.0 109.831 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -60.76 -40.0 90.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.116 -0.99 . . . . 0.0 109.661 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.95 -41.3 91.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.123 -0.986 . . . . 0.0 110.023 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.82 -40.11 94.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.032 -1.043 . . . . 0.0 109.977 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.87 95.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 109.195 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.8 p -61.88 -39.97 93.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.115 -0.99 . . . . 0.0 108.717 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.545 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 44.6 mtt-85 -67.69 -40.06 84.38 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.52 -40.69 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.433 -0.792 . . . . 0.0 109.184 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 42.4 p -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.043 . . . . 0.0 109.301 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.0 93.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 108.569 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.2 -39.91 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -40.11 87.95 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.436 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.832 -1.168 . . . . 0.0 108.645 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.1 m-85 -64.67 -40.01 94.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.457 -0.777 . . . . 0.0 109.536 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.639 -1.288 . . . . 0.0 109.205 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.483 -1.386 . . . . 0.0 108.132 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -61.3 -39.98 92.47 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.4 ' NE2' HD12 ' A' ' 55' ' ' LEU . 2.3 tm0? -56.95 -40.0 75.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 108.406 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.68 77.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 108.651 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.02 -39.98 87.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.412 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.42 HD12 ' NE2' ' C' ' 52' ' ' GLN . 82.1 mt -71.29 116.56 11.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.908 -1.12 . . . . 0.0 108.692 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 33.2 m120 -133.34 -59.25 0.87 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.32 -0.862 . . . . 0.0 110.746 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.646 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.86 116.31 4.38 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.077 -1.014 . . . . 0.0 110.356 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.716 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 78.2 m95 -100.2 122.35 42.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.492 -0.755 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 65.86 26.69 72.27 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.079 -1.058 . . . . 0.0 111.047 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.465 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -76.75 23.69 0.16 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.666 -1.491 . . . . 0.0 109.574 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.13 105.04 1.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.82 -1.175 . . . . 0.0 110.676 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -103.67 11.69 35.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -131.48 23.57 4.75 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -149.7 152.83 35.98 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -102.72 57.76 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.101 -0.999 . . . . 0.0 108.779 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.19 158.4 42.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.802 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.25 133.14 51.55 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 68' ' ' THR . 7.0 t -90.48 115.32 27.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.764 -1.21 . . . . 0.0 109.62 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.549 HG23 ' O ' ' B' ' 69' ' ' THR . 9.0 t -113.97 121.73 44.78 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.472 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 97.9 t -122.21 84.08 46.01 Favored Pre-proline 0 N--CA 1.494 1.737 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -84.92 63.31 6.28 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 122.622 2.215 . . . . 0.0 111.527 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 25.9 t90 -70.0 130.48 89.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.405 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.501 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.6 Cg_exo -41.55 148.37 0.3 Allowed 'Trans proline' 0 N--CA 1.487 1.116 0 C-N-CA 121.27 1.313 . . . . 0.0 110.506 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.6 t-20 -130.83 -45.54 1.05 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.286 -0.884 . . . . 0.0 109.397 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.44 123.24 33.99 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -81.71 107.0 14.09 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.69 134.82 35.51 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.752 0.787 . . . . 0.0 110.0 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.58 HG23 ' O ' ' B' ' 78' ' ' THR . 6.7 t -91.69 115.04 63.78 Favored Pre-proline 0 C--N 1.3 -1.583 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -89.93 -48.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.387 1.391 . . . . 0.0 113.795 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.65 -43.72 2.26 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.9 p90 -59.99 -49.83 76.15 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 112.604 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.7 t30 -69.97 -42.44 73.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 119.951 -1.718 . . . . 0.0 109.35 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.99 -50.9 71.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 0.0 110.685 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.75 -43.07 99.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.87 -1.143 . . . . 0.0 109.341 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.431 HG23 ' O ' ' B' ' 81' ' ' TRP . 72.4 p -69.77 -40.06 76.3 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.347 -0.846 . . . . 0.0 109.596 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -67.68 -39.95 84.45 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.09 -40.81 90.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.892 -1.13 . . . . 0.0 109.077 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.47 -40.68 95.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.018 -1.051 . . . . 0.0 108.702 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.516 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.322 -0.861 . . . . 0.0 109.115 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.214 -0.929 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.4 -40.6 97.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.87 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -60.04 -43.07 95.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.393 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.97 -40.05 85.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.349 -0.844 . . . . 0.0 109.384 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -61.04 -40.62 94.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.178 -0.951 . . . . 0.0 110.796 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.746 -1.221 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.77 -42.85 97.7 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.127 -0.983 . . . . 0.0 109.467 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -44.77 94.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.988 -1.07 . . . . 0.0 109.688 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.71 -41.05 98.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.142 -0.974 . . . . 0.0 109.343 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -45.56 88.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.161 -0.962 . . . . 0.0 109.042 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.19 -46.35 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.449 -0.782 . . . . 0.0 109.514 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -60.06 -41.83 93.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -0.937 . . . . 0.0 109.496 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.319 -0.863 . . . . 0.0 108.908 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.96 -45.48 92.54 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.321 -0.862 . . . . 0.0 109.051 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.444 HD23 HD11 ' B' ' 18' ' ' LEU . 87.6 mt -60.34 -43.64 96.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.0 -45.12 93.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 109.015 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.82 -40.56 97.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.41 -0.806 . . . . 0.0 109.802 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.85 95.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.306 -0.871 . . . . 0.0 109.23 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -60.95 -43.11 99.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.484 ' CG2' ' NZ ' ' B' ' 113' ' ' LYS . 97.4 mt -69.75 -42.74 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.27 -0.893 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.476 HE22 ' CG ' ' A' ' 12' ' ' GLN . 56.7 tt0 -68.67 -39.95 80.39 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.403 -0.81 . . . . 0.0 109.065 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.01 -46.41 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.409 -0.807 . . . . 0.0 109.396 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.21 -40.78 98.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.161 -0.962 . . . . 0.0 109.324 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' LYS . . . . . 0.484 ' NZ ' ' CG2' ' B' ' 109' ' ' ILE . 55.6 mttp -62.8 -43.33 99.09 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.846 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -60.74 -45.83 92.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.84 -39.94 79.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.025 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.0 -45.72 91.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.343 -0.848 . . . . 0.0 108.91 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.72 -40.06 90.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.929 . . . . 0.0 109.215 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.01 -42.42 94.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.94 -40.01 91.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.16 -40.01 88.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 109.479 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.93 -48.38 81.94 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -116.18 58.32 0.75 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.4 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.5 t . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.659 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.2 mt-30 -70.34 144.33 51.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.282 -0.886 . . . . 0.0 109.368 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -88.62 57.94 4.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.05 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.61 -39.96 92.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.477 -0.764 . . . . 0.0 109.126 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.2 t -60.16 -45.49 92.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.298 -0.876 . . . . 0.0 109.452 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' C' ' 5' ' ' THR . 63.1 tp -60.03 -44.78 94.4 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.078 -1.014 . . . . 0.0 108.706 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.2 -39.99 88.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.366 -0.834 . . . . 0.0 109.835 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.02 87.8 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 108.304 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.88 -45.63 56.66 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 108.832 -1.707 . . . . 0.0 108.832 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.74 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.258 -1.143 . . . . 0.0 109.664 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.57 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.99 -1.069 . . . . 0.0 108.777 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.421 ' CG ' HE22 ' A' ' 110' ' ' GLN . 70.9 tp60 -60.64 -40.79 93.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.476 -0.765 . . . . 0.0 109.376 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 3.8 tp-100 -60.22 -41.91 94.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.275 -0.891 . . . . 0.0 109.928 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.39 -40.83 92.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.044 -1.035 . . . . 0.0 109.373 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.47 -42.89 97.13 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.213 -0.929 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.12 -42.24 99.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 109.512 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -42.23 98.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.32 -0.862 . . . . 0.0 109.169 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.425 HD11 HD23 ' C' ' 104' ' ' LEU . 42.1 tp -59.99 -43.65 95.02 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.4 -0.813 . . . . 0.0 108.942 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ASP . . . . . 0.492 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.8 t0 -60.05 -45.64 92.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.392 -0.817 . . . . 0.0 109.896 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.96 -40.07 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.085 -1.01 . . . . 0.0 109.682 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.99 -40.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.065 -1.022 . . . . 0.0 108.566 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.464 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 63.7 tttm -60.46 -40.71 92.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.576 -0.703 . . . . 0.0 109.692 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.492 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 10.2 mpt_? -59.96 -41.16 91.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.218 -0.926 . . . . 0.0 109.503 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.135 -0.978 . . . . 0.0 108.948 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.06 -49.31 78.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 10.3 mp0 -63.52 -40.16 96.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.684 -1.26 . . . . 0.0 109.703 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.1 -41.76 97.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.0 109.646 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.96 -40.0 87.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 109.505 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.14 -40.49 90.01 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.147 -0.971 . . . . 0.0 109.672 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 98.1 mt -62.22 -40.25 95.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.046 -1.034 . . . . 0.0 109.586 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -63.8 -40.04 95.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.79 -40.05 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.21 -0.931 . . . . 0.0 109.279 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.96 -47.51 85.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 0.0 110.044 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.57 -48.83 73.88 Favored Glycine 0 N--CA 1.486 2.016 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.95 75.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.036 -1.273 . . . . 0.0 109.837 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.82 -40.05 91.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.091 -1.006 . . . . 0.0 109.64 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.01 -41.24 91.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.197 -0.939 . . . . 0.0 109.991 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -40.24 94.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.998 -1.064 . . . . 0.0 110.027 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -59.98 -42.5 94.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.087 -1.008 . . . . 0.0 109.279 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' C' ' 43' ' ' THR . 64.8 p -62.25 -39.97 94.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.111 -0.993 . . . . 0.0 108.651 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.521 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 44.6 mtt-85 -67.66 -39.99 84.5 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.28 -40.97 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.373 -0.829 . . . . 0.0 109.18 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' C' ' 40' ' ' THR . 43.5 p -60.01 -39.94 87.52 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.079 -1.013 . . . . 0.0 109.238 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.99 93.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.935 -1.103 . . . . 0.0 108.447 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.21 -39.91 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.179 -0.951 . . . . 0.0 109.454 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.55 -41.89 98.03 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.922 -1.111 . . . . 0.0 108.648 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -65.03 -39.99 94.18 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.519 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.557 -1.339 . . . . 0.0 109.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.01 -40.09 88.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.527 -1.358 . . . . 0.0 108.064 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -61.34 -39.9 92.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.508 -0.745 . . . . 0.0 109.159 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.42 ' NE2' HD12 ' B' ' 55' ' ' LEU . 2.2 tm0? -57.05 -40.1 76.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.901 -1.124 . . . . 0.0 108.364 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.64 77.6 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.312 -0.868 . . . . 0.0 108.699 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.05 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.405 HD12 ' NE2' ' A' ' 52' ' ' GLN . 82.5 mt -71.26 116.5 11.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.986 -1.071 . . . . 0.0 108.677 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 33.4 m120 -133.54 -58.86 0.87 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.315 -0.866 . . . . 0.0 110.684 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.716 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.95 116.33 4.36 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.155 -0.966 . . . . 0.0 110.403 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.704 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 78.0 m95 -100.27 121.78 42.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.445 -0.785 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 66.32 26.84 72.71 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.981 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.66 23.66 0.16 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.66 -1.494 . . . . 0.0 109.653 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.01 105.85 1.57 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.794 -1.191 . . . . 0.0 110.621 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -104.41 11.69 34.28 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.154 -0.966 . . . . 0.0 109.444 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -131.5 23.68 4.75 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mp0 -149.97 152.7 35.38 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.79 58.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.027 -1.046 . . . . 0.0 108.835 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.31 158.4 42.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.461 -0.774 . . . . 0.0 109.8 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.1 133.11 51.75 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.527 HG23 ' O ' ' C' ' 68' ' ' THR . 7.1 t -90.35 115.16 27.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.834 -1.166 . . . . 0.0 109.6 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.554 HG23 ' O ' ' C' ' 69' ' ' THR . 9.0 t -114.2 121.63 44.31 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.485 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 98.2 t -122.04 84.15 45.0 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.68 63.05 6.45 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.629 2.219 . . . . 0.0 111.507 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.2 t90 -70.04 130.48 89.76 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.433 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.503 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.9 Cg_exo -41.35 148.33 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.265 1.31 . . . . 0.0 110.489 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 20.3 t-20 -130.92 -45.31 1.04 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.229 -0.919 . . . . 0.0 109.368 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 123.39 34.18 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 38.5 t -81.6 106.5 13.6 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.31 134.9 35.65 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.767 0.794 . . . . 0.0 109.895 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.583 HG23 ' O ' ' C' ' 78' ' ' THR . 6.8 t -91.84 115.32 64.36 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -90.23 -48.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.358 1.372 . . . . 0.0 113.805 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.55 -43.73 2.27 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.93 -49.78 76.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.388 -1.445 . . . . 0.0 112.552 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 57.7 t30 -70.08 -42.64 72.51 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 119.888 -1.757 . . . . 0.0 109.384 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -60.11 -50.53 73.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.334 -0.854 . . . . 0.0 110.639 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.87 -43.24 99.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.181 . . . . 0.0 109.342 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.427 HG23 ' O ' ' C' ' 81' ' ' TRP . 68.6 p -69.66 -39.99 76.72 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 109.464 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -67.82 -40.02 83.84 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.944 -1.097 . . . . 0.0 109.727 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -59.96 -41.02 91.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.798 -1.189 . . . . 0.0 109.088 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.14 -40.96 95.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.036 -1.04 . . . . 0.0 108.782 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.5 t90 -59.95 -50.0 75.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.373 -0.829 . . . . 0.0 109.122 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -40.1 95.01 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.548 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.37 -40.54 97.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.912 . . . . 0.0 109.911 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -59.96 -43.44 95.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.971 -1.081 . . . . 0.0 109.299 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -40.0 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.81 -40.58 93.25 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.0 110.826 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.57 -39.97 80.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.698 -1.251 . . . . 0.0 109.279 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.72 -42.67 97.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.215 -0.928 . . . . 0.0 109.501 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.17 -45.09 94.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.606 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.46 -41.49 98.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.16 -0.962 . . . . 0.0 109.37 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -45.6 89.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.164 -0.96 . . . . 0.0 109.075 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -46.34 94.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.455 -0.778 . . . . 0.0 109.528 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 35.9 p -60.04 -41.89 93.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.525 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.05 83.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.863 . . . . 0.0 108.961 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.01 -45.42 92.82 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 109.087 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.425 HD23 HD11 ' C' ' 18' ' ' LEU . 87.6 mt -60.42 -43.5 96.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 109.572 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.05 -45.15 93.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.194 -0.941 . . . . 0.0 108.896 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.71 -40.4 97.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.462 -0.774 . . . . 0.0 109.762 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.7 94.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.264 -0.897 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.12 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.274 -0.891 . . . . 0.0 109.461 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 109' ' ' ILE . . . . . 0.496 HG22 ' HZ2' ' C' ' 113' ' ' LYS . 97.4 mt -69.8 -43.12 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.253 -0.904 . . . . 0.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 110' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 56.9 tt0 -68.22 -40.1 82.18 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.446 -0.784 . . . . 0.0 109.056 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -59.91 -47.08 87.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -0.828 . . . . 0.0 109.351 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.38 -41.52 98.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.04 -1.037 . . . . 0.0 109.392 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 113' ' ' LYS . . . . . 0.496 ' HZ2' HG22 ' C' ' 109' ' ' ILE . 55.4 mttp -62.13 -43.35 99.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.0 109.913 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -60.81 -45.83 92.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.876 -1.14 . . . . 0.0 109.615 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.8 -39.94 79.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.014 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.03 -45.95 91.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 108.892 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.52 -40.03 89.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.287 -0.883 . . . . 0.0 109.153 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.05 -42.6 94.83 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.76 -40.06 91.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 109.411 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.02 -39.96 87.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -0.808 . . . . 0.0 109.714 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.87 -48.33 82.14 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -116.34 58.24 0.75 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.608 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.8 mt-30 -70.1 144.29 52.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.0 109.572 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.52 59.37 5.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.007 . . . . 0.0 109.135 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.82 -39.95 91.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.043 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.432 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.08 -41.75 93.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.168 -0.957 . . . . 0.0 109.469 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.98 -45.55 92.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.124 -0.985 . . . . 0.0 108.357 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.5 mt -60.06 -39.46 86.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.685 -0.634 . . . . 0.0 109.379 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.58 88.32 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.79 -45.9 71.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.53 -46.31 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -1.075 . . . . 0.0 109.904 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -42.43 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.997 -1.065 . . . . 0.0 108.882 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.47 -39.87 94.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 109.569 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -59.95 -43.07 95.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.855 . . . . 0.0 109.306 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.61 -40.83 96.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.998 -1.064 . . . . 0.0 109.461 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.01 -42.54 94.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.385 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.76 -40.58 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.881 . . . . 0.0 109.704 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.26 -40.66 98.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.158 -0.963 . . . . 0.0 109.196 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.18 -43.26 96.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.254 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.02 -47.46 85.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.262 -0.899 . . . . 0.0 109.932 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.01 -40.09 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 0.0 109.212 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -41.71 87.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.78 -40.01 94.56 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 31.8 mmt180 -60.19 -40.63 90.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.178 -0.951 . . . . 0.0 109.149 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' NE2' HG21 ' A' ' 100' ' ' ILE . 5.7 tp-100 -60.05 -48.7 80.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.26 -42.02 99.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.928 -1.107 . . . . 0.0 109.453 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.64 -40.78 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.116 -0.99 . . . . 0.0 109.125 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.0 -40.15 88.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.307 -0.87 . . . . 0.0 109.549 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 29' ' ' ARG . 43.2 mtt-85 -60.96 -40.26 92.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.501 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.8 mt -63.22 -39.97 96.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.0 109.425 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.3 p -65.95 -39.96 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.6 t -60.79 -41.02 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.92 -41.58 92.05 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.351 -0.843 . . . . 0.0 109.766 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.0 -45.85 93.28 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -59.97 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.321 . . . . 0.0 108.864 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -61.88 -40.01 93.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.118 -0.989 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.01 -40.57 89.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.51 -40.01 89.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.128 -0.983 . . . . 0.0 108.876 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.68 89.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.207 -0.933 . . . . 0.0 109.535 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 p -60.51 -42.63 96.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.062 -1.024 . . . . 0.0 109.47 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.562 HH22 ' CG ' ' B' ' 82' ' ' ASN . 39.6 mtt-85 -64.09 -39.97 95.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.96 -42.96 96.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.77 -0.581 . . . . 0.0 109.604 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 p -60.06 -40.27 88.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.0 109.781 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.7 94.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.07 -1.019 . . . . 0.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -60.07 -39.31 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.704 -0.622 . . . . 0.0 109.538 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.5 -40.06 85.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.114 -0.991 . . . . 0.0 109.079 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -64.73 -40.67 95.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.783 -1.198 . . . . 0.0 109.122 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -70.0 -38.53 76.0 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.208 -0.932 . . . . 0.0 109.168 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.908 -1.12 . . . . 0.0 109.138 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -60.09 -40.12 88.48 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.838 -1.164 . . . . 0.0 108.325 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.444 -0.785 . . . . 0.0 109.809 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.709 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -59.13 -39.79 83.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.661 -1.274 . . . . 0.0 108.807 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.39 -39.34 83.07 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -39.4 85.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 108.917 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.72 117.11 9.19 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 29.9 m120 -132.8 -64.16 0.76 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.446 -0.784 . . . . 0.0 110.312 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.788 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.56 117.05 3.98 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.124 -0.985 . . . . 0.0 109.838 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.798 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 90.0 m95 -99.61 128.74 45.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.326 -0.859 . . . . 0.0 110.095 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.39 20.47 65.53 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.491 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.45 23.6 0.11 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.617 -1.52 . . . . 0.0 109.011 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.69 106.77 2.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.658 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -120.0 11.68 11.79 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 23.6 ttt180 -138.27 22.13 2.77 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.562 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.23 152.09 35.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.987 -1.071 . . . . 0.0 108.445 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.87 58.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.48 157.54 43.14 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.582 -0.699 . . . . 0.0 109.391 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -129.06 132.46 47.45 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -90.81 113.09 25.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.823 -1.173 . . . . 0.0 109.683 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 69' ' ' THR . 9.9 t -113.51 122.44 47.28 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 79.8 t -129.49 83.0 66.29 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.467 -0.77 . . . . 0.0 109.946 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.38 62.6 5.76 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.71 2.273 . . . . 0.0 111.165 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.3 t90 -68.81 132.16 90.82 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 76.9 Cg_exo -38.27 149.76 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.652 1.568 . . . . 0.0 111.184 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.701 HD21 ' NE2' ' C' ' 52' ' ' GLN . 43.5 t-20 -129.05 -57.13 1.17 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.346 -0.846 . . . . 0.0 109.148 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 124.04 34.7 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.37 107.93 15.41 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.81 136.26 34.7 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.533 0.682 . . . . 0.0 110.325 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.51 110.36 50.51 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.773 -0.579 . . . . 0.0 109.734 179.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -93.66 -47.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.493 1.462 . . . . 0.0 113.542 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -121.71 -47.73 2.19 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.429 -0.794 . . . . 0.0 112.667 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.711 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.4 p90 -60.06 -58.16 9.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.455 -1.403 . . . . 0.0 112.558 -176.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.8 OUTLIER -79.69 -39.86 30.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.225 -1.547 . . . . 0.0 109.644 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.94 -48.69 80.67 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.186 -0.947 . . . . 0.0 109.819 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.87 -44.67 96.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.035 -1.041 . . . . 0.0 109.745 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 81' ' ' TRP . 46.8 p -61.91 -40.01 93.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.087 -1.008 . . . . 0.0 109.721 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.05 -40.0 91.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.071 . . . . 0.0 109.53 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.902 -1.124 . . . . 0.0 108.666 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HG2' ' HZ2' ' A' ' 92' ' ' LYS . 87.2 tt0 -60.11 -41.77 93.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.219 -0.925 . . . . 0.0 108.652 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.2 t90 -59.93 -49.8 76.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.607 -0.683 . . . . 0.0 109.445 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.0 95.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.16 -0.963 . . . . 0.0 109.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -41.85 93.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.191 -0.943 . . . . 0.0 110.605 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.485 ' HZ2' ' HG2' ' A' ' 88' ' ' GLU . 53.3 mttp -60.08 -42.14 93.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.941 -1.099 . . . . 0.0 109.52 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.15 -40.41 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.159 -0.963 . . . . 0.0 108.713 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.98 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.957 -1.089 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -40.06 87.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.113 -0.992 . . . . 0.0 109.128 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.11 -47.62 85.15 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.305 -0.872 . . . . 0.0 109.439 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.01 -45.72 91.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.745 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.498 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.05 -43.4 95.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.415 HG21 ' NE2' ' A' ' 25' ' ' GLN . 92.3 mt -60.13 -46.01 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.05 -1.031 . . . . 0.0 109.543 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.4 p -62.52 -41.1 98.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.08 -1.013 . . . . 0.0 109.699 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.78 76.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.185 -0.947 . . . . 0.0 109.783 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.99 -42.62 98.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.204 -0.935 . . . . 0.0 109.753 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.97 -44.46 94.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 0.0 109.049 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.0 -47.72 84.66 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.114 -0.991 . . . . 0.0 108.762 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.47 -40.17 96.4 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.424 -0.798 . . . . 0.0 109.519 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.36 96.42 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.088 -1.008 . . . . 0.0 109.208 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -59.97 -49.0 79.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.2 -0.937 . . . . 0.0 109.621 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.97 -49.63 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.368 -0.832 . . . . 0.0 109.207 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.67 -40.07 94.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.02 -46.19 90.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 0.0 109.661 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.19 -40.91 94.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -61.87 -40.59 95.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.0 110.0 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.03 -43.37 98.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.011 -1.055 . . . . 0.0 109.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.72 -39.99 88.22 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.0 108.674 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.98 -49.65 76.85 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.62 -0.675 . . . . 0.0 109.533 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.2 -39.94 88.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.028 . . . . 0.0 109.478 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.45 -41.15 93.49 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.369 -0.832 . . . . 0.0 109.785 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -62.34 -41.37 98.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.104 -0.997 . . . . 0.0 109.933 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.51 -38.38 84.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.7 61.78 1.4 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.492 -0.755 . . . . 0.0 109.39 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.851 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 96.8 mt-30 -70.14 144.33 52.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.62 59.56 5.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.065 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.8 -40.01 91.48 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.469 -0.769 . . . . 0.0 109.138 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.433 ' H ' HG22 ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.02 -42.02 93.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.277 -0.89 . . . . 0.0 109.506 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.0 -45.21 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.15 -0.969 . . . . 0.0 108.462 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.0 -39.9 87.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.693 -0.629 . . . . 0.0 109.399 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.72 87.81 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.68 -45.92 72.39 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.6 -46.4 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -1.057 . . . . 0.0 109.886 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -42.41 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.076 -1.015 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.55 -39.77 94.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 109.555 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.851 . . . . 0.0 109.316 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.78 -40.73 96.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.445 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.06 -42.46 94.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.211 -0.93 . . . . 0.0 109.416 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.93 -40.4 96.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.314 -0.866 . . . . 0.0 109.634 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.34 -40.77 98.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.153 -0.967 . . . . 0.0 109.187 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.33 -0.856 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -47.35 86.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.295 -0.878 . . . . 0.0 109.879 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.049 -1.032 . . . . 0.0 109.296 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -41.96 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.53 -40.1 94.99 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.487 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 31.9 mmt180 -60.17 -40.66 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.106 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.244 -0.91 . . . . 0.0 109.205 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.412 ' NE2' HG21 ' B' ' 100' ' ' ILE . 5.7 tp-100 -59.98 -48.19 82.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 109.671 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.88 -41.55 97.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.071 -1.018 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.07 -40.45 95.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.225 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.07 -40.51 89.74 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.333 -0.854 . . . . 0.0 109.461 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' B' ' 29' ' ' ARG . 43.0 mtt-85 -60.56 -40.73 92.69 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.109 -0.994 . . . . 0.0 109.571 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.77 -40.22 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.163 -0.961 . . . . 0.0 109.422 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -65.88 -39.99 91.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.962 . . . . 0.0 109.55 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.67 -41.12 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.235 -0.916 . . . . 0.0 109.099 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.274 -0.891 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.3 -45.76 93.8 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.318 . . . . 0.0 108.842 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 109.23 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -40.96 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 0.0 110.158 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.07 -40.04 88.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.142 -0.974 . . . . 0.0 108.94 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.01 -40.64 89.98 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.582 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.7 p -60.46 -42.6 96.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.053 -1.029 . . . . 0.0 109.514 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.535 HH22 ' CG ' ' C' ' 82' ' ' ASN . 40.3 mtt-85 -64.31 -40.04 95.13 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -61.55 -43.47 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 23.6 p -59.97 -40.09 87.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.066 -1.021 . . . . 0.0 109.76 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.985 -1.072 . . . . 0.0 108.402 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.13 -39.29 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.701 -0.624 . . . . 0.0 109.527 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.139 -0.976 . . . . 0.0 109.111 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.39 -41.08 96.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.717 -1.24 . . . . 0.0 109.028 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.1 m-85 -70.02 -38.37 75.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.18 -0.95 . . . . 0.0 109.201 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.01 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.742 -1.224 . . . . 0.0 109.066 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.1 -40.06 88.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.812 -1.18 . . . . 0.0 108.268 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.477 -0.764 . . . . 0.0 109.808 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.704 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.11 -40.04 84.14 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.566 -1.334 . . . . 0.0 108.79 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.43 81.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.809 -1.182 . . . . 0.0 107.811 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -39.43 85.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 108.885 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.71 117.16 9.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.977 -1.077 . . . . 0.0 108.216 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 30.4 m120 -132.74 -63.96 0.76 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.387 -0.821 . . . . 0.0 110.37 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.82 116.97 3.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.099 -1.001 . . . . 0.0 109.815 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.826 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.6 m95 -99.55 128.61 45.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 64.47 20.55 65.78 Favored Glycine 0 N--CA 1.491 2.333 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.51 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.49 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.47 23.7 0.11 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.645 -1.503 . . . . 0.0 108.987 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.9 106.67 2.26 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -119.91 11.54 11.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' B' ' 63' ' ' ARG . 24.0 ttt180 -138.05 22.37 2.82 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.57 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.67 152.11 34.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.935 -1.103 . . . . 0.0 108.332 178.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.89 58.15 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.059 -1.026 . . . . 0.0 108.251 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.67 157.43 42.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.43 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -128.84 132.53 47.79 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.63 113.08 25.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.784 -1.198 . . . . 0.0 109.616 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.514 ' O ' HG23 ' B' ' 69' ' ' THR . 9.8 t -113.65 122.39 47.02 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.526 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 78.8 t -129.6 83.11 65.66 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.5 -0.75 . . . . 0.0 109.903 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -85.44 62.63 5.71 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.787 2.325 . . . . 0.0 111.061 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -68.77 132.22 90.85 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' B' ' 72' ' ' TRP . 78.5 Cg_exo -38.26 149.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.634 1.556 . . . . 0.0 111.248 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.709 HD21 ' NE2' ' A' ' 52' ' ' GLN . 43.2 t-20 -129.26 -56.99 1.16 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.389 -0.819 . . . . 0.0 109.216 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.76 124.13 34.88 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.4 t -82.34 107.68 15.2 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.9 mt -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.583 0.706 . . . . 0.0 110.286 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -95.3 110.25 49.5 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.768 -0.582 . . . . 0.0 109.733 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -93.69 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.492 1.461 . . . . 0.0 113.504 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -121.69 -47.71 2.19 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.412 -0.805 . . . . 0.0 112.607 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.713 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.1 p90 -60.12 -58.04 10.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.493 -1.379 . . . . 0.0 112.599 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.713 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.8 OUTLIER -79.79 -39.96 29.7 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.155 -1.59 . . . . 0.0 109.655 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.0 -48.73 80.5 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.693 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.65 -44.82 95.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.93 -1.106 . . . . 0.0 109.7 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.463 HG23 ' O ' ' B' ' 81' ' ' TRP . 48.1 p -61.89 -40.03 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.06 -1.025 . . . . 0.0 109.755 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -61.19 -40.0 92.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.965 -1.085 . . . . 0.0 109.523 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.06 -41.14 91.69 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.945 -1.097 . . . . 0.0 108.699 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.442 ' HG2' ' HZ2' ' B' ' 92' ' ' LYS . 87.3 tt0 -60.21 -41.57 93.32 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.501 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 68.7 t90 -60.02 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.511 -0.743 . . . . 0.0 109.328 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -43.03 95.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 0.0 109.825 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -41.77 92.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.193 -0.942 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.442 ' HZ2' ' HG2' ' B' ' 88' ' ' GLU . 53.1 mttp -60.08 -42.3 94.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.921 -1.112 . . . . 0.0 109.479 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.94 -40.54 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.098 -1.001 . . . . 0.0 108.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.05 -49.31 78.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.476 -0.765 . . . . 0.0 109.908 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -60.09 -46.37 89.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.97 -1.081 . . . . 0.0 109.817 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.05 -40.06 87.05 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.081 -1.012 . . . . 0.0 109.157 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.19 -47.25 86.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.452 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.24 -45.71 92.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 109.683 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.458 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.0 -43.83 94.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.412 HG21 ' NE2' ' B' ' 25' ' ' GLN . 92.5 mt -60.0 -45.94 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.062 -1.024 . . . . 0.0 109.635 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 47.8 p -62.7 -40.79 98.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.048 -1.032 . . . . 0.0 109.601 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.82 75.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.92 . . . . 0.0 109.78 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.9 -42.7 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.04 -44.29 94.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 109.078 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.01 -47.42 85.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.146 -0.971 . . . . 0.0 108.806 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.88 -40.23 96.04 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.388 -0.82 . . . . 0.0 109.49 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.4 96.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 0.0 109.213 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.97 -49.27 78.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.487 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.98 -49.31 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.203 -0.936 . . . . 0.0 109.176 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.81 -40.17 94.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.082 -1.011 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -60.0 -45.25 93.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 0.0 109.698 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.34 -40.02 89.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 109.549 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.79 -40.04 96.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.49 -42.81 98.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.0 109.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -67.26 -40.01 86.16 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.221 -0.924 . . . . 0.0 108.598 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.0 -49.41 77.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.653 -0.654 . . . . 0.0 109.493 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -39.97 89.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.123 -0.986 . . . . 0.0 109.46 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.31 -41.0 92.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.824 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.6 mt-30 -62.62 -41.3 98.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 109.958 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.49 -38.11 83.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.244 -0.91 . . . . 0.0 109.398 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.55 -47.68 84.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.61 61.72 1.4 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.565 -0.709 . . . . 0.0 109.321 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.461 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.84 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -70.3 144.32 51.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.0 109.416 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -88.42 59.28 5.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.17 -0.956 . . . . 0.0 109.158 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.65 -40.01 92.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.46 -0.775 . . . . 0.0 109.036 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -42.13 93.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.275 -0.891 . . . . 0.0 109.484 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.96 -45.32 93.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 108.374 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.611 -0.681 . . . . 0.0 109.433 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.61 88.29 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.61 -46.09 71.65 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.35 -46.43 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -1.095 . . . . 0.0 109.995 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.06 -42.39 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.113 -0.992 . . . . 0.0 108.85 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.46 -39.8 94.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.488 -0.758 . . . . 0.0 109.557 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -59.94 -43.24 95.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.344 -0.848 . . . . 0.0 109.322 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.39 -40.82 95.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.026 -1.046 . . . . 0.0 109.431 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.08 -42.13 93.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.486 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.21 -39.94 95.03 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.881 . . . . 0.0 109.643 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.87 -40.66 97.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.166 -0.959 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.14 -43.09 95.96 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.332 -0.855 . . . . 0.0 109.318 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.95 -47.75 84.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.851 . . . . 0.0 109.924 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.98 -40.0 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.212 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -41.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -64.69 -39.96 94.56 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.498 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 31.9 mmt180 -60.37 -40.53 91.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 109.084 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.0 109.26 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . 0.402 ' NE2' HG21 ' C' ' 100' ' ' ILE . 5.7 tp-100 -59.99 -48.3 82.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.58 -41.7 98.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.115 -0.991 . . . . 0.0 109.469 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.03 -40.47 95.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.052 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.25 -40.27 89.72 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.564 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.443 ' HG2' HH11 ' C' ' 29' ' ' ARG . 43.1 mtt-85 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.126 -0.984 . . . . 0.0 109.549 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.539 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.9 mt -63.11 -40.02 96.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 109.455 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -66.16 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.536 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.6 -41.05 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.339 -0.85 . . . . 0.0 109.137 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.339 -0.851 . . . . 0.0 109.712 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.83 -45.85 93.05 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 40.1 m -60.03 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.988 -1.301 . . . . 0.0 108.745 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -62.09 -39.98 94.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.183 -0.948 . . . . 0.0 109.213 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.96 -40.99 90.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 110.078 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.09 -40.06 88.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.117 -0.989 . . . . 0.0 108.974 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.65 90.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.489 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.36 -43.09 96.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.03 -1.044 . . . . 0.0 109.41 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.528 HH22 ' CG ' ' A' ' 82' ' ' ASN . 39.5 mtt-85 -63.86 -39.99 95.51 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.77 -43.17 96.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.687 -0.633 . . . . 0.0 109.648 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 24.2 p -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.06 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.83 94.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 108.386 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.01 -39.25 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.686 -0.634 . . . . 0.0 109.588 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.71 -40.02 86.55 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.221 -0.924 . . . . 0.0 109.112 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.42 -41.12 96.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.867 -1.146 . . . . 0.0 109.135 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.2 m-85 -70.03 -38.23 75.83 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.243 -0.91 . . . . 0.0 109.241 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.159 . . . . 0.0 109.092 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -60.05 -40.18 88.55 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.849 -1.157 . . . . 0.0 108.317 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.03 -39.78 87.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.376 -0.828 . . . . 0.0 109.7 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.701 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.4 -39.91 84.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.634 -1.291 . . . . 0.0 108.794 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.42 81.4 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.846 -1.159 . . . . 0.0 107.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -39.41 85.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.87 117.17 9.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.995 -1.066 . . . . 0.0 108.166 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 30.5 m120 -132.85 -64.03 0.76 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.435 -0.79 . . . . 0.0 110.352 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.826 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.64 116.97 3.94 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.171 -0.956 . . . . 0.0 109.897 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.788 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.7 m95 -99.59 128.39 45.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.279 -0.888 . . . . 0.0 110.237 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.53 20.45 65.82 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.934 -1.126 . . . . 0.0 110.485 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.38 23.56 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.721 -1.458 . . . . 0.0 109.013 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.68 106.73 2.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.62 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -120.02 11.8 11.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' C' ' 63' ' ' ARG . 23.9 ttt180 -138.3 22.26 2.77 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.555 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.5 152.09 35.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.934 -1.104 . . . . 0.0 108.334 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -100.85 58.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.077 -1.014 . . . . 0.0 108.321 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.45 157.49 43.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.497 -0.752 . . . . 0.0 109.39 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -128.79 132.52 47.88 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.417 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -90.74 113.09 25.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.789 -1.195 . . . . 0.0 109.698 -179.065 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.524 ' O ' HG23 ' C' ' 69' ' ' THR . 9.7 t -113.72 122.48 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.531 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 80.3 t -129.54 82.83 66.55 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -85.21 62.71 5.94 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.669 2.246 . . . . 0.0 111.113 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 15.7 t90 -68.81 132.18 90.81 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.556 -0.715 . . . . 0.0 109.183 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.2 Cg_exo -38.26 149.75 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 121.557 1.505 . . . . 0.0 111.314 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.704 HD21 ' NE2' ' B' ' 52' ' ' GLN . 43.5 t-20 -129.13 -57.04 1.17 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.371 -0.831 . . . . 0.0 109.204 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.67 124.05 34.77 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.31 107.57 15.09 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.68 136.2 34.81 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.556 0.693 . . . . 0.0 110.216 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -95.32 110.29 49.72 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.836 -0.54 . . . . 0.0 109.683 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -93.71 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.179 0 C-N-CA 121.538 1.492 . . . . 0.0 113.528 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -121.65 -47.73 2.19 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.487 -0.758 . . . . 0.0 112.661 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.703 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.2 p90 -60.08 -58.08 10.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.479 -1.388 . . . . 0.0 112.636 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.703 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.8 OUTLIER -79.76 -39.86 30.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.592 -178.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.98 -48.92 79.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.173 -0.954 . . . . 0.0 109.696 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.6 -44.64 96.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.811 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.461 HG23 ' O ' ' C' ' 81' ' ' TRP . 47.0 p -61.78 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.37 -40.05 92.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.027 -1.045 . . . . 0.0 109.475 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.94 -41.06 90.99 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.907 -1.121 . . . . 0.0 108.815 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.48 93.32 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.309 -0.869 . . . . 0.0 108.74 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 68.8 t90 -59.98 -49.91 75.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.601 -0.687 . . . . 0.0 109.358 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.04 95.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.221 -0.924 . . . . 0.0 109.809 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.123 -0.985 . . . . 0.0 110.519 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -60.04 -42.12 93.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.895 -1.128 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.08 -40.42 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.126 -0.984 . . . . 0.0 108.771 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.05 -49.48 77.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -60.0 -46.54 89.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.932 -1.105 . . . . 0.0 109.774 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.83 -40.06 87.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.175 -0.953 . . . . 0.0 109.226 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -47.62 85.11 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -45.58 92.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.858 . . . . 0.0 109.741 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.487 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.9 t-20 -59.99 -43.96 94.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.106 -0.996 . . . . 0.0 109.761 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . 0.402 HG21 ' NE2' ' C' ' 25' ' ' GLN . 92.7 mt -59.99 -45.98 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.976 -1.077 . . . . 0.0 109.629 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 47.5 p -62.63 -40.82 98.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.075 -1.015 . . . . 0.0 109.581 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.53 77.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.983 . . . . 0.0 109.859 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.34 -42.55 98.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.714 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.02 -44.34 94.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.207 -0.933 . . . . 0.0 109.075 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.99 -47.68 84.81 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.115 -0.99 . . . . 0.0 108.783 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.48 -40.78 97.99 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.396 -0.815 . . . . 0.0 109.424 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.41 96.75 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.127 -0.983 . . . . 0.0 109.329 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -59.99 -49.17 78.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.911 . . . . 0.0 109.562 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 93.0 mt -59.98 -49.29 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.203 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.91 -39.98 94.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.0 109.921 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.18 -45.35 93.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.38 -40.11 89.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.61 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.922 . . . . 0.0 109.878 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.44 -43.21 98.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.946 -1.096 . . . . 0.0 109.389 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.92 -40.0 87.54 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.92 -49.41 77.81 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.6 -0.688 . . . . 0.0 109.573 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.95 89.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 109.411 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.46 -41.73 98.97 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -59.91 -38.12 81.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.926 . . . . 0.0 109.734 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.58 -47.51 85.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -127.9 62.05 1.42 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.616 -0.678 . . . . 0.0 109.329 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.459 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.939 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.35 145.33 47.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.404 -0.81 . . . . 0.0 109.778 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -89.09 61.34 5.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.82 -40.03 96.14 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.52 -0.738 . . . . 0.0 109.153 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 6' ' ' LEU . 6.5 t -60.03 -45.08 93.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.24 -0.912 . . . . 0.0 109.219 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.539 ' N ' HG23 ' A' ' 5' ' ' THR . 60.4 tp -60.43 -41.56 94.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 109.133 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.02 -40.03 87.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.818 . . . . 0.0 109.576 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.28 88.58 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.173 -0.954 . . . . 0.0 108.914 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.39 -45.0 57.08 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -47.99 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.286 -1.126 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -44.49 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 108.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.67 -40.2 94.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.215 -0.928 . . . . 0.0 109.421 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -41.71 92.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.0 109.372 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.59 -41.38 97.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.043 -1.036 . . . . 0.0 109.145 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.09 -43.55 95.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.147 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.18 -40.22 95.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.18 -0.95 . . . . 0.0 109.405 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.79 -41.79 95.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.924 . . . . 0.0 109.075 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.59 -43.03 97.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.05 -1.031 . . . . 0.0 109.125 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.1 -48.86 79.94 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.81 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -40.43 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.067 -1.02 . . . . 0.0 109.32 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.02 -44.48 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.024 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.73 -40.74 96.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.461 -0.774 . . . . 0.0 109.281 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.562 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 45.0 mtt-85 -61.76 -39.99 93.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.393 -0.817 . . . . 0.0 109.913 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.05 -40.04 88.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.095 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.04 -45.22 93.57 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.167 -0.958 . . . . 0.0 109.554 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.29 -40.61 90.17 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.22 -40.32 95.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.089 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.15 -40.01 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.567 -0.708 . . . . 0.0 109.207 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 29' ' ' ARG . 49.5 mtt-85 -59.86 -41.09 90.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.847 . . . . 0.0 109.361 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 84.7 mt -62.81 -39.88 95.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.556 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 109.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.12 -40.13 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.381 -0.824 . . . . 0.0 109.296 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -59.95 -41.72 92.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.379 -0.826 . . . . 0.0 109.585 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -59.99 -50.04 75.29 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.989 -1.301 . . . . 0.0 109.995 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -61.6 -39.95 93.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.0 109.443 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -59.99 -39.93 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.356 -0.84 . . . . 0.0 109.39 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.923 -1.11 . . . . 0.0 108.163 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.99 -39.96 87.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.317 -0.864 . . . . 0.0 109.607 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.0 -40.65 89.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.82 -1.175 . . . . 0.0 108.9 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.588 HH22 ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -63.71 -39.99 95.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.047 -1.033 . . . . 0.0 108.515 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.35 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.47 -0.769 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.3 p -60.02 -39.91 87.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.063 -1.023 . . . . 0.0 109.703 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.95 77.16 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.585 -1.322 . . . . 0.0 108.532 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.82 -39.98 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.491 -0.755 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.783 -1.198 . . . . 0.0 108.064 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -59.93 -46.34 89.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.308 -0.87 . . . . 0.0 109.381 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 53.9 m-85 -65.49 -40.07 92.67 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 109.669 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.97 -39.66 86.41 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.031 -1.043 . . . . 0.0 108.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.05 -39.73 86.95 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.05 -39.47 86.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 109.214 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.67 -39.96 86.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.84 -1.163 . . . . 0.0 109.027 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.02 -37.06 76.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.917 -1.114 . . . . 0.0 108.602 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -39.87 87.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.215 -0.928 . . . . 0.0 108.497 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.7 109.45 7.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.969 -1.082 . . . . 0.0 108.611 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 25.1 m120 -133.44 -63.18 0.76 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.35 111.84 3.2 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.487 ' C ' ' H ' ' A' ' 60' ' ' ALA . 43.5 m95 -131.77 149.99 52.29 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 110.196 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 54.24 6.8 0.68 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -77.12 24.02 0.18 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.285 -1.126 . . . . 0.0 109.075 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.34 109.4 2.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 0.0 110.277 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -105.46 12.74 31.11 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.223 -0.923 . . . . 0.0 109.962 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 62.2 mtp180 -119.7 22.33 11.65 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.568 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.23 151.74 33.49 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.49 60.26 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.054 -1.029 . . . . 0.0 109.237 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.01 158.12 43.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.463 -0.773 . . . . 0.0 109.182 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -127.5 132.9 49.9 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 68' ' ' THR . 6.3 t -97.31 120.02 36.9 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.161 -0.962 . . . . 0.0 110.636 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 69' ' ' THR . 9.8 t -115.33 122.28 45.41 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.417 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 44.8 t -129.03 85.17 60.78 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.466 -0.771 . . . . 0.0 109.245 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -86.06 64.1 5.25 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.73 2.287 . . . . 0.0 111.788 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.6 t90 -69.94 131.48 89.14 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' TRP . 72.9 Cg_exo -38.31 148.08 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.512 1.475 . . . . 0.0 111.382 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 13.4 t-20 -124.8 -56.16 1.58 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.275 -0.891 . . . . 0.0 109.132 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.42 125.41 33.67 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 t -81.68 108.32 15.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.809 -1.157 . . . . 0.0 108.012 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -81.65 135.4 35.53 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.536 0.684 . . . . 0.0 109.64 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -91.54 113.14 57.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -93.96 -46.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 114.109 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -121.25 -45.76 2.33 Favored 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.9 p90 -59.99 -55.6 31.98 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.33 -1.481 . . . . 0.0 112.154 -176.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 7.9 t-20 -78.87 -39.51 35.01 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.216 -1.552 . . . . 0.0 109.701 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.95 -47.7 84.72 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.186 -0.946 . . . . 0.0 109.114 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -43.93 95.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.988 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 81' ' ' TRP . 77.7 p -68.14 -39.99 82.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.002 -1.062 . . . . 0.0 109.33 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -61.38 -40.04 92.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.078 -1.014 . . . . 0.0 109.303 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.95 -42.48 94.14 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 120.963 -1.086 . . . . 0.0 108.081 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -40.06 96.17 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.583 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.8 t90 -59.96 -50.02 75.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.511 -0.743 . . . . 0.0 109.189 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.5 -39.97 94.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.192 -0.943 . . . . 0.0 109.296 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.32 -41.61 98.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 110.032 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.03 -42.55 94.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.597 -1.314 . . . . 0.0 109.303 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.26 -42.45 90.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 108.828 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.45 -40.15 93.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.421 -0.799 . . . . 0.0 110.625 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -68.89 -40.01 79.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.785 -1.197 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.17 -40.27 78.24 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.114 -0.992 . . . . 0.0 108.448 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.23 -47.28 86.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.55 -41.01 93.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.001 . . . . 0.0 109.646 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.587 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 50.7 t-20 -66.24 -40.91 90.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.118 -0.989 . . . . 0.0 109.74 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.59 -40.11 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.993 -1.067 . . . . 0.0 109.381 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.0 p -62.45 -40.19 95.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.184 -0.948 . . . . 0.0 109.703 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.36 -0.837 . . . . 0.0 109.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.65 -40.07 95.94 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.541 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.68 -44.98 95.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.963 -1.086 . . . . 0.0 109.068 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.08 83.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.17 -0.956 . . . . 0.0 108.974 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.46 -40.46 96.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.587 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.23 -44.32 97.46 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.317 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -49.7 76.66 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.148 -0.97 . . . . 0.0 109.121 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.07 -49.88 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.16 -0.963 . . . . 0.0 109.512 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.02 -40.53 98.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.559 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.0 -50.04 75.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.341 -0.849 . . . . 0.0 109.454 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.5 -42.54 96.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.164 -0.96 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.48 -42.46 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.298 -0.876 . . . . 0.0 109.767 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -0.957 . . . . 0.0 109.149 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.76 -39.94 84.1 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -60.1 -48.78 80.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 0.0 109.69 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.5 mt-30 -60.05 -41.43 92.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.809 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.0 -39.52 86.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.248 -0.907 . . . . 0.0 109.424 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.1 -47.26 85.9 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -126.11 61.96 1.26 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.095 -1.003 . . . . 0.0 109.075 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.28 145.33 47.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.242 -0.911 . . . . 0.0 109.705 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 36.0 p -88.8 61.49 6.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 109.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -62.95 -39.94 96.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.484 -0.76 . . . . 0.0 109.142 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.551 HG23 ' N ' ' B' ' 6' ' ' LEU . 6.3 t -60.05 -45.04 94.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.551 ' N ' HG23 ' B' ' 5' ' ' THR . 61.0 tp -60.37 -41.66 94.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.18 -0.95 . . . . 0.0 109.199 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.472 -0.768 . . . . 0.0 109.61 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.921 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.89 -44.83 54.86 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -47.82 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 109.552 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.0 -44.7 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.093 -1.004 . . . . 0.0 108.965 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -61.58 -39.98 93.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.998 . . . . 0.0 109.438 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.417 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.15 -41.54 96.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.063 -1.023 . . . . 0.0 109.176 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.28 -43.26 96.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.26 -0.9 . . . . 0.0 109.145 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.4 -40.23 95.84 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.205 -0.934 . . . . 0.0 109.309 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.9 -41.77 95.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.116 -0.99 . . . . 0.0 109.143 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.6 -42.87 97.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.12 -0.987 . . . . 0.0 109.171 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.04 -48.97 79.52 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.03 -40.57 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.003 -1.06 . . . . 0.0 109.332 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.94 -44.65 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.225 -0.922 . . . . 0.0 108.924 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.72 -40.62 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 0.0 109.259 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.602 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 44.1 mtt-85 -61.87 -39.98 93.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.839 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.1 -40.03 88.22 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.106 -0.996 . . . . 0.0 109.066 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.93 -45.49 92.44 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.223 -0.923 . . . . 0.0 109.418 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.92 -40.75 91.73 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.001 -1.062 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.26 -40.26 95.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.314 -0.866 . . . . 0.0 109.19 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.18 -39.97 88.35 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.515 -0.741 . . . . 0.0 109.197 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 29' ' ' ARG . 49.4 mtt-85 -60.0 -41.01 91.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.404 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.56 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.4 mt -62.66 -40.18 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.299 -0.876 . . . . 0.0 109.578 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.6 p -64.76 -40.06 94.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.25 -39.99 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.211 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -60.04 -41.24 91.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.534 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.55 94.17 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.04 -50.14 74.9 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.28 . . . . 0.0 109.942 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -61.55 -39.89 92.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.283 -0.886 . . . . 0.0 109.446 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.571 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.947 -1.096 . . . . 0.0 108.264 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.02 -40.1 88.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.384 -0.823 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' B' ' 43' ' ' THR . 47.5 p -59.97 -40.27 88.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.904 -1.123 . . . . 0.0 108.997 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.565 HH22 ' CG ' ' C' ' 82' ' ' ASN . 50.0 mtt-85 -64.14 -39.94 95.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.033 -1.042 . . . . 0.0 108.195 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.51 -41.66 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.489 -0.757 . . . . 0.0 109.524 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 40' ' ' THR . 54.9 p -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.986 -1.071 . . . . 0.0 109.736 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.01 77.99 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.487 -1.383 . . . . 0.0 108.609 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.71 -40.02 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.519 -0.738 . . . . 0.0 110.444 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.837 -1.164 . . . . 0.0 108.079 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -59.99 -46.53 89.16 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.415 -0.803 . . . . 0.0 109.38 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 54.8 m-85 -65.4 -40.0 92.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.93 -39.64 86.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.0 108.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.07 -39.52 86.32 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.07 -39.29 85.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.396 -0.815 . . . . 0.0 109.237 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.7 OUTLIER -59.93 -39.87 86.99 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.802 -1.186 . . . . 0.0 109.026 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.09 -37.13 76.39 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.936 -1.102 . . . . 0.0 108.506 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.98 -39.55 86.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.945 . . . . 0.0 108.507 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.0 109.52 7.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.025 -1.047 . . . . 0.0 108.669 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.3 m120 -133.58 -62.87 0.77 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.66 111.79 3.11 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.493 ' C ' ' H ' ' B' ' 60' ' ' ALA . 44.0 m95 -131.98 149.99 52.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.402 -0.811 . . . . 0.0 110.169 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 54.2 6.81 0.68 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -77.16 23.77 0.18 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.306 -1.114 . . . . 0.0 109.123 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.23 109.52 2.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.196 -0.94 . . . . 0.0 110.266 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -105.54 13.16 30.44 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.255 -0.903 . . . . 0.0 110.069 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.503 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 62.4 mtp180 -120.07 22.43 11.44 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.563 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.25 151.79 33.54 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 179.227 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -107.65 60.19 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.013 -1.054 . . . . 0.0 109.175 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.7 43.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.485 -0.759 . . . . 0.0 109.245 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.2 133.17 50.31 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 68' ' ' THR . 6.3 t -97.45 120.27 37.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.11 -0.993 . . . . 0.0 110.532 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.544 ' O ' HG23 ' B' ' 69' ' ' THR . 9.8 t -115.48 122.42 45.7 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 42.7 t -129.03 85.45 60.0 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.351 -0.843 . . . . 0.0 109.283 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.24 64.15 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.71 2.273 . . . . 0.0 111.916 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.5 t90 -70.04 131.35 89.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.595 -0.691 . . . . 0.0 109.234 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' B' ' 72' ' ' TRP . 73.8 Cg_exo -38.31 148.14 0.1 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 121.46 1.44 . . . . 0.0 111.307 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.2 t-20 -124.88 -56.43 1.57 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.418 -0.801 . . . . 0.0 109.018 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.04 125.38 33.39 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.7 t -81.69 108.5 15.29 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.796 -1.161 . . . . 0.0 107.936 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -81.6 135.92 35.56 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.5 0.667 . . . . 0.0 109.558 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.677 ' O ' HG23 ' B' ' 78' ' ' THR . 15.3 t -91.8 113.03 57.55 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -93.84 -46.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.607 1.538 . . . . 0.0 114.033 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -121.21 -45.76 2.33 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.9 p90 -60.02 -55.82 29.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.368 -1.457 . . . . 0.0 112.083 -176.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.7 t-20 -78.59 -39.66 36.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.18 -1.575 . . . . 0.0 109.676 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -60.01 -47.55 85.37 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.0 109.022 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.134 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.439 HG23 ' O ' ' B' ' 81' ' ' TRP . 76.3 p -68.57 -39.94 80.79 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.04 -1.037 . . . . 0.0 109.26 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -61.49 -40.04 93.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.088 -1.008 . . . . 0.0 109.149 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.933 -1.104 . . . . 0.0 108.103 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.17 96.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.525 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.8 t90 -60.0 -49.93 75.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.45 -0.781 . . . . 0.0 109.289 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.18 -40.03 95.25 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.249 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.32 -41.46 98.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.08 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -60.01 -42.82 95.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.614 -1.304 . . . . 0.0 109.242 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.16 -42.24 89.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.226 -0.921 . . . . 0.0 108.792 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.35 -40.19 93.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 0.0 110.747 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -68.94 -40.07 79.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.703 -1.248 . . . . 0.0 109.408 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.16 -40.01 78.43 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.108 -0.995 . . . . 0.0 108.507 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.78 -46.77 89.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.782 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -40.98 92.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.958 -1.089 . . . . 0.0 109.703 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.562 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 51.6 t-20 -66.16 -41.09 90.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.55 -40.18 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.023 -1.048 . . . . 0.0 109.378 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.626 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.76 80.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.0 109.837 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.65 -40.45 96.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.086 -1.009 . . . . 0.0 109.479 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.41 -44.99 96.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.076 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -48.36 82.01 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.185 -0.947 . . . . 0.0 108.922 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.17 -40.64 96.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.418 -0.801 . . . . 0.0 109.703 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.27 97.55 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.274 -0.891 . . . . 0.0 109.236 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.0 -49.71 76.61 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.1 -1.0 . . . . 0.0 109.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.96 -49.99 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.434 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.92 -40.66 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -59.94 -50.04 75.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.245 -0.909 . . . . 0.0 109.516 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.38 -42.28 95.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.185 -0.947 . . . . 0.0 109.367 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.73 -42.18 96.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.34 -0.85 . . . . 0.0 109.79 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -62.95 -42.29 99.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.076 -1.015 . . . . 0.0 108.973 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.8 -40.01 83.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.29 -0.881 . . . . 0.0 108.873 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.94 -48.76 80.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.48 -0.762 . . . . 0.0 109.311 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.42 -40.05 89.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.885 . . . . 0.0 109.518 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.12 -41.81 93.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 109.738 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.4 mt-30 -60.21 -41.43 93.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 0.0 109.829 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -60.1 -39.71 87.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.94 -46.95 86.75 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -126.22 61.84 1.28 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.01 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.33 0.585 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.59 145.35 47.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.0 109.777 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -88.93 61.52 5.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.878 . . . . 0.0 109.145 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.99 -40.06 96.61 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.534 HG23 ' N ' ' C' ' 6' ' ' LEU . 6.5 t -59.95 -45.06 93.87 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.315 -0.866 . . . . 0.0 109.229 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.534 ' N ' HG23 ' C' ' 5' ' ' THR . 60.7 tp -60.54 -41.31 94.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.214 -0.928 . . . . 0.0 109.192 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.35 -39.93 88.93 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.53 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.15 88.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.175 -0.953 . . . . 0.0 108.945 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.56 -44.96 56.29 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -1.107 . . . . 0.0 109.513 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.13 -44.45 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.031 -1.043 . . . . 0.0 108.827 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.79 -39.97 93.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 109.541 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.34 -41.88 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 109.244 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -61.14 -41.56 96.96 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -43.59 94.97 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.203 -0.935 . . . . 0.0 109.257 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.12 -40.06 94.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.377 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.92 -42.08 95.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.081 -1.012 . . . . 0.0 109.013 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.23 -43.06 96.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.145 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.0 -48.92 79.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.168 -0.958 . . . . 0.0 109.878 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.05 -40.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.975 -1.078 . . . . 0.0 109.328 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -44.71 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.31 -0.868 . . . . 0.0 108.911 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.81 -40.93 96.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.512 -0.743 . . . . 0.0 109.171 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.587 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 44.5 mtt-85 -61.56 -39.99 93.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.864 . . . . 0.0 109.795 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.07 -40.06 88.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 109.155 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.96 -45.02 94.01 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.154 -0.967 . . . . 0.0 109.483 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.52 -40.24 89.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.931 -1.105 . . . . 0.0 109.401 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.61 -40.12 95.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.265 -0.897 . . . . 0.0 108.968 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.23 -39.97 88.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.48 -0.763 . . . . 0.0 109.243 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' C' ' 29' ' ' ARG . 48.6 mtt-85 -59.97 -40.88 90.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.391 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.583 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.7 mt -62.9 -40.08 96.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -64.81 -40.06 94.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 109.481 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.13 -40.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.89 . . . . 0.0 109.256 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -60.0 -41.75 92.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.533 -0.73 . . . . 0.0 109.522 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -46.54 93.98 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.21 -50.0 75.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.045 -1.268 . . . . 0.0 109.894 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -61.64 -39.98 93.25 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.0 109.403 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.423 HD21 HD21 ' A' ' 82' ' ' ASN . 58.4 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.338 -0.851 . . . . 0.0 109.377 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.812 -1.18 . . . . 0.0 108.206 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.259 -0.901 . . . . 0.0 109.632 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' C' ' 43' ' ' THR . 47.7 p -59.96 -40.21 88.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.843 -1.161 . . . . 0.0 108.957 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' A' ' 82' ' ' ASN . 50.0 mtt-85 -64.07 -40.0 95.31 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.8 -41.48 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.532 -0.73 . . . . 0.0 109.412 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' C' ' 40' ' ' THR . 54.5 p -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.998 -1.064 . . . . 0.0 109.636 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.95 78.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.438 -1.414 . . . . 0.0 108.522 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.597 -0.689 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.757 -1.214 . . . . 0.0 108.058 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.04 -46.32 89.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.385 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -65.44 -40.02 92.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.0 109.689 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.02 -39.75 86.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.01 -39.77 86.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.848 -1.158 . . . . 0.0 107.948 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.128 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.77 -40.06 86.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.807 -1.183 . . . . 0.0 109.024 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -58.93 -36.97 75.65 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.966 -1.084 . . . . 0.0 108.524 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.02 -39.95 87.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.201 -0.937 . . . . 0.0 108.53 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -73.43 109.49 6.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.048 . . . . 0.0 108.598 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.2 m120 -133.64 -62.71 0.77 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.79 111.42 3.03 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.462 ' C ' ' H ' ' C' ' 60' ' ' ALA . 44.0 m95 -131.54 150.1 52.27 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.448 -0.782 . . . . 0.0 110.205 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.01 7.17 0.7 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -77.61 24.03 0.22 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.267 -1.137 . . . . 0.0 109.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.34 109.83 2.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.124 -0.985 . . . . 0.0 110.281 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.04 13.11 29.64 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.243 -0.91 . . . . 0.0 110.014 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 62.7 mtp180 -120.02 22.33 11.5 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.588 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.21 151.82 33.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -107.54 60.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.107 -0.995 . . . . 0.0 109.27 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 158.09 43.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.41 133.05 50.0 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.481 ' O ' HG23 ' C' ' 68' ' ' THR . 6.3 t -97.5 120.13 37.31 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.551 ' O ' HG23 ' C' ' 69' ' ' THR . 9.9 t -115.53 122.15 44.82 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.414 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 42.3 t -128.72 85.34 60.52 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.367 -0.833 . . . . 0.0 109.304 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.19 64.2 5.13 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.759 2.306 . . . . 0.0 111.864 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' C' ' 73' ' ' PRO . 17.2 t90 -70.07 131.51 88.9 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.424 ' C ' ' O ' ' C' ' 72' ' ' TRP . 72.9 Cg_exo -38.35 148.25 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.236 0 C-N-CA 121.445 1.43 . . . . 0.0 111.233 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.2 t-20 -124.97 -56.84 1.55 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.0 108.991 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.96 125.02 33.06 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -81.37 108.44 14.98 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.052 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.6 mt -81.43 135.92 35.66 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.615 0.721 . . . . 0.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.671 HG23 ' O ' ' C' ' 78' ' ' THR . 15.4 t -91.82 112.96 57.27 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.82 -46.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.615 1.543 . . . . 0.0 113.985 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -121.25 -45.84 2.32 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.674 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.6 p90 -60.01 -55.74 30.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.281 -1.512 . . . . 0.0 112.097 -176.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.674 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 7.5 t-20 -78.64 -39.66 36.4 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.072 -1.642 . . . . 0.0 109.678 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.98 -47.57 85.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.132 -0.98 . . . . 0.0 109.159 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -43.76 95.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 109.119 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' C' ' 81' ' ' TRP . 76.2 p -68.41 -39.95 81.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.146 -0.971 . . . . 0.0 109.17 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -61.58 -39.98 93.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.13 -0.981 . . . . 0.0 109.166 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -42.33 94.07 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.907 -1.121 . . . . 0.0 108.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.1 96.14 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.5 t90 -59.94 -49.95 75.67 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.24 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.55 -40.03 94.84 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.183 -0.948 . . . . 0.0 109.214 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.24 -41.44 98.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.145 -0.972 . . . . 0.0 110.17 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -60.07 -42.4 94.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.653 -1.279 . . . . 0.0 109.235 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.55 -42.61 92.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.184 -0.947 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.79 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.53 -39.96 80.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.833 -1.167 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.28 -39.98 78.03 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.529 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -46.2 91.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.353 -0.842 . . . . 0.0 109.784 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.23 -40.8 90.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.65 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.602 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 51.5 t-20 -66.33 -41.06 90.16 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.795 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.54 -40.01 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.425 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.1 p -62.71 -39.97 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.04 . . . . 0.0 109.631 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.96 79.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.65 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.096 -1.002 . . . . 0.0 109.588 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.68 -45.28 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.967 -1.083 . . . . 0.0 108.954 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.05 83.32 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.195 -0.941 . . . . 0.0 108.933 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.567 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.45 97.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 109.226 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.09 -49.47 77.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.189 -0.944 . . . . 0.0 109.215 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.07 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.9 -40.65 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 0.0 109.588 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.03 -50.0 75.44 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.165 -0.959 . . . . 0.0 109.419 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.33 -42.54 95.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.118 -0.989 . . . . 0.0 109.292 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.46 -42.42 96.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 0.0 109.777 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -62.52 -42.52 99.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.118 -0.989 . . . . 0.0 109.111 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.82 -39.95 83.86 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.437 -0.789 . . . . 0.0 109.365 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.31 -39.99 88.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.311 -0.868 . . . . 0.0 109.639 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.17 -41.83 93.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.5 mt-30 -59.99 -41.68 92.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.89 . . . . 0.0 109.973 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.0 -38.88 83.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.211 -0.93 . . . . 0.0 109.603 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.78 -46.98 87.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.23 62.03 1.27 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.107 -0.996 . . . . 0.0 109.025 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.411 0.625 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.522 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 77.7 mt-30 -68.5 143.32 55.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.379 -0.825 . . . . 0.0 109.549 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -91.2 59.87 4.08 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -0.865 . . . . 0.0 109.577 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.522 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 51.0 mtt-85 -64.95 -40.04 94.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.568 -0.708 . . . . 0.0 109.345 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.8 t -60.34 -41.37 93.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.266 -0.896 . . . . 0.0 109.32 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.479 ' N ' HG23 ' A' ' 5' ' ' THR . 58.9 tp -60.1 -43.68 95.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.22 -0.925 . . . . 0.0 108.561 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.62 -40.05 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.6 -0.688 . . . . 0.0 109.5 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.7 92.49 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.03 89.61 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.849 -1.701 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.22 -46.82 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -1.093 . . . . 0.0 109.058 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.05 -46.48 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.412 HE21 ' NE2' ' B' ' 110' ' ' GLN . 26.7 mt-30 -61.59 -38.32 87.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.346 178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -59.93 -41.8 92.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 109.224 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -63.02 -40.18 96.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.992 -1.068 . . . . 0.0 109.11 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.46 -40.27 90.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.347 -0.846 . . . . 0.0 109.833 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -66.72 -40.0 88.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.814 -1.179 . . . . 0.0 109.515 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.27 -41.35 99.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' CD2' HE21 ' A' ' 108' ' ' GLN . 50.9 tp -60.28 -43.1 96.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.387 -0.821 . . . . 0.0 109.547 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.0 -45.32 93.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -40.19 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 110.015 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.17 -42.03 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 108.746 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.01 -40.75 94.74 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.34 0.59 . . . . 0.0 109.596 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.699 ' NH1' HD22 ' B' ' 99' ' ' ASN . 31.3 mmt180 -60.44 -40.32 90.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.509 -0.745 . . . . 0.0 109.264 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.92 -40.05 87.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.319 -0.863 . . . . 0.0 109.033 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.85 -48.96 79.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.779 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.72 -40.5 96.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.602 -1.311 . . . . 0.0 109.274 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.06 -41.4 96.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.209 -0.932 . . . . 0.0 109.313 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.22 -41.01 92.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.479 -0.763 . . . . 0.0 109.712 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 29' ' ' ARG . 42.6 mtt-85 -60.23 -39.87 88.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.953 -1.092 . . . . 0.0 109.249 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.0 mt -61.49 -40.04 93.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -65.64 -40.05 92.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.05 -1.031 . . . . 0.0 109.865 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.77 -40.13 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.145 -0.972 . . . . 0.0 108.926 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -60.05 -42.82 95.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.477 -0.764 . . . . 0.0 110.354 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.83 93.47 Favored Glycine 0 N--CA 1.486 2.024 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.105 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -60.26 -49.99 75.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.075 -1.25 . . . . 0.0 109.913 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -60.05 -39.87 87.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.023 -1.048 . . . . 0.0 109.698 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.62 -40.09 86.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.438 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.0 88.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.949 -1.094 . . . . 0.0 108.735 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.395 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 43' ' ' THR . 69.8 p -59.92 -40.83 90.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.925 -1.11 . . . . 0.0 108.708 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.708 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.9 mtt-85 -67.35 -39.76 85.76 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.05 -41.05 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.016 -1.053 . . . . 0.0 108.741 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 40' ' ' THR . 70.9 p -59.94 -41.01 90.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.815 -1.178 . . . . 0.0 109.196 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.1 96.98 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.936 -1.102 . . . . 0.0 108.454 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.07 -40.2 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.676 -0.64 . . . . 0.0 110.133 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.567 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 12.5 mm-40 -60.2 -40.31 89.6 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 109.026 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.55 -42.01 98.21 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.301 -0.874 . . . . 0.0 110.808 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CE1' ' O ' ' B' ' 74' ' ' ASN . 63.3 m-85 -68.08 -38.43 82.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.057 -1.027 . . . . 0.0 109.579 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 84.3 mt -59.94 -39.79 86.72 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.737 -1.227 . . . . 0.0 108.42 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.57 -38.51 81.33 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.382 -1.449 . . . . 0.0 108.159 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -63.09 -26.93 69.06 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.66 ' NE2' HD21 ' A' ' 74' ' ' ASN . 6.5 tt0 -59.92 -43.26 95.01 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.17 79.86 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.501 -0.75 . . . . 0.0 109.908 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -80.08 112.44 17.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.946 -1.096 . . . . 0.0 109.164 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.15 -72.12 0.51 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.364 -0.835 . . . . 0.0 109.214 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.2 94.3 2.29 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.412 ' C ' ' H ' ' A' ' 60' ' ' ALA . 52.2 m95 -112.67 145.31 40.67 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.576 -0.702 . . . . 0.0 110.927 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.29 0.6 4.69 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -73.89 24.84 0.07 Allowed 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.421 -1.046 . . . . 0.0 108.975 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.72 112.45 3.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.096 -1.002 . . . . 0.0 109.651 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -114.27 12.03 17.56 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.495 -0.753 . . . . 0.0 110.504 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.415 HH22 ' HB3' ' C' ' 63' ' ' ARG . 10.7 ptp180 -121.06 21.75 11.2 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -144.18 151.05 38.97 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.1 58.66 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.035 -1.04 . . . . 0.0 108.55 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.91 158.1 42.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.47 -0.769 . . . . 0.0 109.604 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -127.15 133.65 50.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 68' ' ' THR . 5.3 t -98.64 119.71 37.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.136 -0.978 . . . . 0.0 111.111 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 69' ' ' THR . 10.0 t -116.64 119.28 35.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 84.3 t -122.45 93.07 48.75 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.436 -0.79 . . . . 0.0 109.15 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -87.01 62.71 4.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.765 2.31 . . . . 0.0 112.325 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 33.2 t90 -70.1 130.66 89.48 Favored Pre-proline 0 N--CA 1.493 1.706 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 97.5 Cg_exo -38.32 147.63 0.11 Allowed 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.418 1.412 . . . . 0.0 112.066 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.66 HD21 ' NE2' ' A' ' 52' ' ' GLN . 65.4 t30 -130.7 -58.76 1.03 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.567 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -86.73 123.78 32.26 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.72 109.53 16.96 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.13 136.44 35.9 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.444 0.64 . . . . 0.0 109.394 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 78' ' ' THR . 12.4 t -93.16 112.96 58.58 Favored Pre-proline 0 N--CA 1.494 1.732 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -94.61 -47.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.976 0 C-N-CA 121.647 1.565 . . . . 0.0 114.541 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.06 -44.39 2.41 Favored 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.97 -49.93 75.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.28 -1.513 . . . . 0.0 112.605 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.684 ' ND2' HH21 ' C' ' 41' ' ' ARG . 61.1 t30 -71.02 -41.09 71.33 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.009 -1.682 . . . . 0.0 110.595 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -59.94 -49.96 75.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.0 . . . . 0.0 110.156 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.0 -44.91 94.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.955 -1.091 . . . . 0.0 109.155 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 81' ' ' TRP . 81.9 p -70.03 -40.07 75.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.132 -0.98 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 42.8 t-105 -67.45 -39.97 85.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.028 -1.045 . . . . 0.0 109.301 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.01 -40.73 90.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.678 -1.264 . . . . 0.0 108.571 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.25 -41.08 96.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.04 -1.038 . . . . 0.0 108.505 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.563 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.6 t90 -60.08 -50.11 74.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.496 -0.752 . . . . 0.0 109.197 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.33 -41.22 98.37 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.825 . . . . 0.0 109.373 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -63.28 -40.29 96.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.487 -0.758 . . . . 0.0 110.192 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.36 -40.86 92.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.82 -1.175 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.26 -40.98 91.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -60.64 -44.68 96.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -66.89 -40.28 87.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.93 -1.106 . . . . 0.0 109.48 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.17 -40.35 86.59 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.27 -49.28 78.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 108.941 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.06 -42.22 98.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.466 -0.771 . . . . 0.0 109.661 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.7 HD22 ' NH1' ' C' ' 23' ' ' ARG . 96.6 m-20 -62.33 -40.12 95.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.034 -1.041 . . . . 0.0 109.391 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.23 -41.38 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.114 -0.991 . . . . 0.0 109.272 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -62.49 -41.28 98.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.03 -1.044 . . . . 0.0 109.105 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.59 81.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.403 -0.81 . . . . 0.0 109.005 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -47.13 87.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.43 -0.794 . . . . 0.0 109.761 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 18' ' ' LEU . 83.6 mt -59.99 -41.96 93.19 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.356 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.12 -48.86 79.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 109.181 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 -41.87 96.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.518 -0.739 . . . . 0.0 109.591 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.17 93.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.005 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.473 HE21 ' CD2' ' A' ' 18' ' ' LEU . 48.4 mm-40 -59.97 -46.9 87.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.053 -1.029 . . . . 0.0 109.401 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.17 -49.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.189 -0.944 . . . . 0.0 109.571 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.96 -40.32 83.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.86 . . . . 0.0 109.976 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -60.03 -49.16 78.76 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.78 -40.53 97.59 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.12 -0.987 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.11 -40.06 96.53 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.014 -1.054 . . . . 0.0 109.648 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -67.57 -40.1 84.88 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.977 -1.077 . . . . 0.0 109.385 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.81 -39.88 76.28 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.089 -1.007 . . . . 0.0 108.645 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.06 -48.2 82.69 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.29 -40.25 93.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.187 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -41.64 92.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.241 -0.912 . . . . 0.0 109.603 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.0 mt-30 -61.0 -42.46 98.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -60.29 -40.03 89.03 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.0 109.367 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.466 HD13 ' NH1' ' A' ' 4' ' ' ARG . 99.5 mt -59.45 -49.11 79.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -116.48 58.86 0.75 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.655 -0.653 . . . . 0.0 109.292 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.128 . . . . 0.0 109.007 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.323 0.582 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.542 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 77.8 mt-30 -68.57 143.22 54.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.526 -0.734 . . . . 0.0 109.606 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -90.88 59.89 4.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.076 -1.015 . . . . 0.0 109.58 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.542 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 49.7 mtt-85 -64.81 -40.09 94.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.627 -0.67 . . . . 0.0 109.335 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.475 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.6 t -60.34 -41.61 93.97 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.293 -0.88 . . . . 0.0 109.407 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.475 ' N ' HG23 ' B' ' 5' ' ' THR . 58.9 tp -59.98 -43.94 94.82 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.57 -40.19 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.45 -0.781 . . . . 0.0 109.457 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.46 90.43 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.932 -1.105 . . . . 0.0 108.308 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.21 -44.68 90.44 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.36 -46.52 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -1.033 . . . . 0.0 109.107 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.05 -46.68 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.012 -1.055 . . . . 0.0 108.766 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.83 -38.23 87.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.609 -0.682 . . . . 0.0 109.207 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -59.99 -41.85 92.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.157 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.03 -40.03 96.52 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.899 -1.126 . . . . 0.0 109.042 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.32 -40.25 89.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 109.836 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -66.85 -40.07 87.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.279 -0.888 . . . . 0.0 109.42 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.36 -41.34 98.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.303 -0.873 . . . . 0.0 109.328 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.463 ' CD2' HE21 ' B' ' 108' ' ' GLN . 49.6 tp -60.12 -43.35 95.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 109.804 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.87 -45.32 92.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.893 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.95 -40.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.992 . . . . 0.0 109.88 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.19 -41.65 87.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.246 -0.909 . . . . 0.0 108.926 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 61.0 tttp -61.02 -40.96 95.55 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.379 0.609 . . . . 0.0 109.508 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.67 ' NH1' HD22 ' C' ' 99' ' ' ASN . 31.3 mmt180 -60.39 -40.06 89.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.356 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.92 -40.09 87.68 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.973 . . . . 0.0 109.137 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.97 -48.61 80.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.759 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 4.9 mp0 -63.9 -40.17 95.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.688 -1.257 . . . . 0.0 109.277 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.25 -41.34 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.373 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.32 -40.75 91.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.465 -0.772 . . . . 0.0 109.919 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' B' ' 29' ' ' ARG . 42.9 mtt-85 -59.99 -40.21 88.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.952 . . . . 0.0 109.439 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.505 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.819 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.9 p -65.5 -39.99 92.53 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.095 -1.003 . . . . 0.0 109.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.95 -40.09 84.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.329 -0.857 . . . . 0.0 108.942 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -60.09 -42.77 95.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.507 -0.746 . . . . 0.0 110.312 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.78 93.54 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.296 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -60.63 -49.93 75.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.947 -1.325 . . . . 0.0 109.751 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -60.06 -39.6 86.57 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.028 -1.045 . . . . 0.0 109.721 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.02 -40.04 87.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.1 -40.14 88.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.051 -1.031 . . . . 0.0 108.731 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 0.0 109.64 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.0 p -60.01 -40.38 89.06 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.866 -1.147 . . . . 0.0 108.503 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.712 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -67.28 -39.84 86.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.261 -0.899 . . . . 0.0 108.86 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.06 -40.83 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.264 -0.897 . . . . 0.0 108.86 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 40' ' ' THR . 69.6 p -60.09 -40.95 91.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.827 -1.17 . . . . 0.0 109.139 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.55 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.22 -40.06 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.554 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 12.3 mm-40 -60.31 -39.95 88.82 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.251 -0.906 . . . . 0.0 109.108 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' C' ' 74' ' ' ASN . 63.9 m-85 -67.27 -38.85 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.037 -1.04 . . . . 0.0 109.63 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' B' ' 75' ' ' ALA . 84.6 mt -59.91 -39.1 84.24 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.677 -1.264 . . . . 0.0 108.557 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.85 -38.47 82.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.504 -1.373 . . . . 0.0 108.199 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.57 -26.92 68.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.671 ' NE2' HD21 ' B' ' 74' ' ' ASN . 6.5 tt0 -59.94 -43.74 94.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.89 78.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.907 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -79.95 112.85 17.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.591 -1.318 . . . . 0.0 109.166 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.6 m120 -133.24 -72.28 0.51 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.328 -0.857 . . . . 0.0 109.231 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.15 93.91 2.24 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.407 ' C ' ' H ' ' B' ' 60' ' ' ALA . 50.9 m95 -112.39 145.51 39.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.501 -0.75 . . . . 0.0 110.86 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.8 1.16 4.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.511 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -74.32 25.14 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.304 -1.115 . . . . 0.0 108.957 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.31 112.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.234 -0.916 . . . . 0.0 109.824 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -114.25 12.1 17.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.619 -0.675 . . . . 0.0 110.432 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.405 ' HB3' HH22 ' C' ' 63' ' ' ARG . 10.5 ptp180 -120.64 21.13 11.63 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -143.43 151.48 40.41 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -107.06 58.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 120.97 -1.081 . . . . 0.0 108.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.72 158.08 42.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.559 -0.713 . . . . 0.0 109.622 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -126.84 133.62 50.71 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.439 HG23 ' O ' ' B' ' 68' ' ' THR . 5.0 t -98.75 119.67 37.89 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.169 -0.957 . . . . 0.0 111.104 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.549 ' O ' HG23 ' B' ' 69' ' ' THR . 9.9 t -116.52 119.14 34.64 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.415 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 89.7 t -121.97 93.38 48.63 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.492 -0.755 . . . . 0.0 109.086 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -87.08 62.24 4.14 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.596 2.197 . . . . 0.0 112.605 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 30.4 t90 -69.84 130.15 90.4 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 99.9 Cg_exo -38.18 147.66 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.236 0 C-N-CA 121.426 1.417 . . . . 0.0 112.114 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.671 HD21 ' NE2' ' B' ' 52' ' ' GLN . 65.4 t30 -130.52 -59.5 1.02 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.554 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -86.38 124.03 32.28 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.86 109.71 17.22 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.74 -1.225 . . . . 0.0 107.723 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.05 136.34 35.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.688 ' O ' HG23 ' B' ' 78' ' ' THR . 12.4 t -93.08 113.09 58.93 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.554 -0.716 . . . . 0.0 109.078 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -94.41 -48.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.596 1.531 . . . . 0.0 114.468 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.17 -44.36 2.39 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.5 p90 -59.92 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.119 -1.613 . . . . 0.0 112.451 -175.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.708 ' ND2' HH21 ' A' ' 41' ' ' ARG . 61.9 t30 -70.92 -41.04 71.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.272 -1.518 . . . . 0.0 110.654 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.03 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.197 -0.939 . . . . 0.0 110.083 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.766 -1.209 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 81' ' ' TRP . 81.5 p -70.03 -39.73 75.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 109.779 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.412 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 43.4 t-105 -67.79 -39.95 84.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.913 -1.117 . . . . 0.0 109.417 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -40.16 88.95 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.642 -1.286 . . . . 0.0 108.648 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.81 -41.19 97.46 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.098 -1.001 . . . . 0.0 108.471 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.5 t90 -60.17 -49.97 75.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.441 -0.787 . . . . 0.0 109.073 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.95 -41.74 98.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.488 -0.758 . . . . 0.0 109.274 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.75 -40.32 96.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 110.201 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.7 -40.53 92.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.82 -1.175 . . . . 0.0 109.105 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.73 -40.4 88.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.19 -43.92 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.389 -0.819 . . . . 0.0 110.718 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.732 -1.23 . . . . 0.0 109.676 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.82 -40.52 83.81 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.169 -0.957 . . . . 0.0 108.827 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -49.66 76.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.267 -0.896 . . . . 0.0 108.93 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.52 -42.47 96.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.481 -0.762 . . . . 0.0 109.784 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.699 HD22 ' NH1' ' A' ' 23' ' ' ARG . 96.6 m-20 -61.88 -40.23 94.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.185 -0.947 . . . . 0.0 109.572 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.14 -41.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.243 -0.91 . . . . 0.0 109.277 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -62.06 -41.68 98.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.194 -0.941 . . . . 0.0 109.16 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.09 83.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.863 . . . . 0.0 109.292 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.14 -47.52 85.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.494 -0.754 . . . . 0.0 109.653 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' B' ' 18' ' ' LEU . 84.4 mt -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.218 -0.926 . . . . 0.0 109.261 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.2 -49.48 77.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.255 -0.903 . . . . 0.0 109.13 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.12 -41.46 92.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.573 -0.704 . . . . 0.0 109.664 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.4 -45.07 94.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.358 -0.839 . . . . 0.0 109.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.463 HE21 ' CD2' ' B' ' 18' ' ' LEU . 47.0 mm-40 -60.03 -46.92 87.9 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.03 -1.044 . . . . 0.0 109.374 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.14 -49.8 82.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.29 -0.882 . . . . 0.0 109.59 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.412 ' NE2' HE21 ' A' ' 12' ' ' GLN . 53.1 tt0 -68.23 -40.04 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 109.935 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.25 -49.32 78.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.883 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.91 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -62.69 -40.0 95.75 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.0 109.798 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -67.68 -40.2 84.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.922 -1.111 . . . . 0.0 109.502 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.67 -39.8 76.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 108.661 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.23 -48.36 82.06 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -40.14 92.75 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.12 -42.24 94.35 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.41 -0.806 . . . . 0.0 109.804 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.3 mt-30 -60.68 -42.48 97.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.094 -1.004 . . . . 0.0 109.732 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.23 -39.89 88.28 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.233 -0.917 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.457 HD13 ' NH1' ' B' ' 4' ' ' ARG . 98.8 mt -59.57 -49.38 77.98 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.38 58.6 0.75 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.697 -0.627 . . . . 0.0 109.495 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.288 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.447 0.642 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.534 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 78.3 mt-30 -69.16 143.54 54.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.285 -0.884 . . . . 0.0 109.543 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -91.07 59.85 4.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.534 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 50.1 mtt-85 -65.04 -40.06 94.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.392 -0.818 . . . . 0.0 109.398 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.476 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.8 t -60.1 -41.25 92.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.476 ' N ' HG23 ' C' ' 5' ' ' THR . 59.2 tp -59.98 -43.99 94.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.227 -0.921 . . . . 0.0 108.559 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.31 -39.87 88.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.591 -0.693 . . . . 0.0 109.625 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.63 92.36 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.43 -44.71 89.74 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.25 -46.93 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.535 -0.979 . . . . 0.0 109.217 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.88 -47.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.78 -38.59 85.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.463 -0.773 . . . . 0.0 109.359 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -59.84 -41.78 92.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.306 -0.871 . . . . 0.0 109.386 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.22 -40.03 96.31 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.921 -1.112 . . . . 0.0 109.11 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.47 -40.31 90.75 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.247 -0.908 . . . . 0.0 109.7 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -66.53 -40.06 88.94 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.0 109.605 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.4 -41.58 98.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.471 ' CD2' HE21 ' C' ' 108' ' ' GLN . 50.9 tp -60.24 -43.63 95.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.407 -0.808 . . . . 0.0 109.398 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.86 -44.5 94.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 109.939 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.58 -40.28 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.12 -41.88 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.201 -0.937 . . . . 0.0 108.82 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.15 -40.79 95.17 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.362 0.601 . . . . 0.0 109.558 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.7 ' NH1' HD22 ' A' ' 99' ' ' ASN . 31.2 mmt180 -60.08 -40.11 88.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.392 -0.818 . . . . 0.0 109.165 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.1 -39.88 87.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.353 -0.842 . . . . 0.0 109.147 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.11 -48.67 80.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.408 -0.807 . . . . 0.0 109.711 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -64.01 -40.24 95.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.609 -1.307 . . . . 0.0 109.419 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -61.24 -41.36 96.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.37 -0.831 . . . . 0.0 109.186 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.47 -40.83 92.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.537 -0.727 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.441 ' HG2' HH11 ' C' ' 29' ' ' ARG . 42.0 mtt-85 -60.1 -39.91 87.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.051 . . . . 0.0 109.404 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.563 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.3 mt -61.47 -40.11 93.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.945 . . . . 0.0 109.652 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -65.63 -40.39 92.5 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 109.723 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.56 -40.17 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.201 -0.937 . . . . 0.0 109.062 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -60.11 -42.8 95.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.76 . . . . 0.0 110.263 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -47.32 91.53 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.29 -50.03 75.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.309 . . . . 0.0 109.838 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -60.17 -39.26 85.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 109.676 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.025 . . . . 0.0 109.284 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.14 -40.08 88.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.973 -1.079 . . . . 0.0 108.874 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.12 -40.05 88.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.119 -0.988 . . . . 0.0 109.378 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -60.19 -40.23 89.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.767 -1.208 . . . . 0.0 108.649 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.684 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.6 mtt-85 -67.52 -39.79 85.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 108.673 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -41.05 84.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.275 -0.89 . . . . 0.0 108.669 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 71.8 p -60.05 -40.75 90.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.814 -1.179 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.07 96.23 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.94 -40.28 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.726 -0.609 . . . . 0.0 110.258 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.564 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 12.8 mm-40 -60.08 -39.93 87.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.114 -0.991 . . . . 0.0 108.999 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.21 -42.49 99.34 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.902 . . . . 0.0 110.394 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 74' ' ' ASN . 63.6 m-85 -67.46 -38.48 84.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.002 -1.061 . . . . 0.0 109.665 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' C' ' 75' ' ' ALA . 84.2 mt -60.1 -39.45 86.21 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.77 -1.206 . . . . 0.0 108.358 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.98 -38.48 82.66 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.428 -1.42 . . . . 0.0 107.968 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -63.41 -26.6 68.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.665 ' NE2' HD21 ' C' ' 74' ' ' ASN . 6.4 tt0 -59.95 -43.4 95.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.98 79.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.86 -40.08 87.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.461 -0.775 . . . . 0.0 109.919 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -80.15 112.7 17.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.814 -1.179 . . . . 0.0 109.114 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.5 m120 -133.23 -72.25 0.51 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.866 . . . . 0.0 109.111 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 94.22 2.28 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -112.51 144.86 41.27 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.494 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.39 0.87 5.07 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -73.69 24.92 0.07 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.433 -1.039 . . . . 0.0 108.97 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.05 112.08 3.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.917 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . 0.415 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 34.4 m-85 -113.95 11.75 17.89 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.73 -0.606 . . . . 0.0 110.592 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.415 ' HB3' HH22 ' A' ' 63' ' ' ARG . 10.7 ptp180 -120.67 21.6 11.46 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -143.9 151.19 39.5 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -107.2 58.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.063 -1.023 . . . . 0.0 108.505 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.76 157.92 42.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.603 -0.686 . . . . 0.0 109.847 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -127.2 133.37 50.29 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.434 ' O ' HG23 ' C' ' 68' ' ' THR . 5.2 t -98.36 119.85 37.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.231 -0.918 . . . . 0.0 111.125 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.576 ' O ' HG23 ' C' ' 69' ' ' THR . 10.1 t -116.79 119.04 34.17 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 85.1 t -122.03 93.01 48.8 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.9 62.62 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.252 0 C-N-CA 122.41 2.073 . . . . 0.0 112.452 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.7 t90 -69.97 130.47 89.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 108.771 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' C' ' 72' ' ' TRP . 95.1 Cg_exo -38.32 147.59 0.11 Allowed 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 121.35 1.367 . . . . 0.0 112.112 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.665 HD21 ' NE2' ' C' ' 52' ' ' GLN . 65.3 t30 -130.49 -59.26 1.03 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . 0.564 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -86.49 123.86 32.17 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.64 109.61 16.97 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 118.853 -1.139 . . . . 0.0 107.947 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -81.02 136.12 35.94 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.573 0.702 . . . . 0.0 109.424 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' C' ' 78' ' ' THR . 12.7 t -92.77 113.14 58.78 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 109.214 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -94.2 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.02 0 C-N-CA 121.555 1.503 . . . . 0.0 114.548 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.23 -44.51 2.38 Favored 'General case' 0 N--CA 1.507 2.413 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.5 p90 -59.86 -50.12 75.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.117 -1.614 . . . . 0.0 112.472 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.712 ' ND2' HH21 ' B' ' 41' ' ' ARG . 62.1 t30 -71.03 -40.46 71.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.041 -1.662 . . . . 0.0 110.681 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.043 -1.036 . . . . 0.0 110.262 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.997 -1.064 . . . . 0.0 109.009 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.402 HG23 ' O ' ' C' ' 81' ' ' TRP . 81.5 p -69.99 -39.97 75.6 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.261 -0.899 . . . . 0.0 110.069 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.426 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 43.6 t-105 -67.45 -39.92 85.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.884 -1.135 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -60.19 -40.05 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.681 -1.262 . . . . 0.0 108.606 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.87 -40.85 96.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 108.443 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.505 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.3 t90 -60.18 -49.88 75.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.36 -0.838 . . . . 0.0 109.1 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.24 -41.97 98.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.393 -0.817 . . . . 0.0 109.229 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.905 . . . . 0.0 110.237 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.09 -41.26 92.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.92 -40.81 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.75 -44.29 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.499 -0.751 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -67.21 -40.04 86.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.812 -1.18 . . . . 0.0 109.604 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.93 -40.13 83.4 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 108.941 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.33 -49.21 78.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.314 -0.866 . . . . 0.0 109.121 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.13 -42.33 98.35 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.358 -0.839 . . . . 0.0 109.528 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.67 HD22 ' NH1' ' B' ' 23' ' ' ARG . 96.7 m-20 -61.96 -40.53 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.73 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.324 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 70.2 p -62.14 -41.79 98.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.48 81.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.332 -0.855 . . . . 0.0 109.171 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.05 -47.34 86.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.496 -0.753 . . . . 0.0 109.529 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' C' ' 18' ' ' LEU . 85.1 mt -59.97 -41.96 93.12 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.225 -0.922 . . . . 0.0 109.354 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 -48.78 80.26 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.187 -0.946 . . . . 0.0 109.288 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.56 -41.94 95.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.429 -0.795 . . . . 0.0 109.305 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.94 94.6 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.374 -0.829 . . . . 0.0 109.296 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.471 HE21 ' CD2' ' C' ' 18' ' ' LEU . 47.3 mm-40 -60.05 -46.61 88.95 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.129 . . . . 0.0 109.502 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.21 -49.7 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.203 -0.935 . . . . 0.0 109.518 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -68.56 -40.23 80.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.254 -0.903 . . . . 0.0 109.79 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -60.08 -49.19 78.61 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.155 -0.966 . . . . 0.0 109.326 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.27 -41.08 98.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.911 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -62.87 -39.99 96.12 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.552 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.66 -40.24 84.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.887 -1.133 . . . . 0.0 109.502 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.8 -40.06 76.2 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 108.617 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -59.88 -48.61 80.99 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -40.33 92.24 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.221 -0.925 . . . . 0.0 109.434 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -41.71 92.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.397 -0.814 . . . . 0.0 109.87 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -61.18 -42.35 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.063 -1.023 . . . . 0.0 109.844 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.251 -0.906 . . . . 0.0 109.463 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . 0.469 HD13 ' NH1' ' C' ' 4' ' ' ARG . 97.6 mt -59.82 -48.96 79.59 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.56 58.99 0.75 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.5 p . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.464 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 93.1 mt-30 -70.37 144.75 51.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 109.037 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -89.65 60.67 5.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.069 -1.019 . . . . 0.0 109.194 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -64.01 -39.99 95.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.43 -0.794 . . . . 0.0 109.284 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 5.0 t -59.94 -42.78 94.75 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.497 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 62.6 tp -66.51 -40.87 89.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.056 -1.028 . . . . 0.0 109.28 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.18 -39.76 87.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.475 -0.765 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.0 86.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.124 -0.985 . . . . 0.0 108.644 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.07 43.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.0 -47.73 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.206 -1.173 . . . . 0.0 109.765 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.03 -41.99 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 108.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' HE22 ' B' ' 110' ' ' GLN . 60.3 tt0 -61.73 -40.3 94.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.602 -0.686 . . . . 0.0 109.589 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.05 -41.62 92.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.23 -40.99 92.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.124 -0.985 . . . . 0.0 108.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.73 -42.5 97.41 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.447 -0.783 . . . . 0.0 109.239 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -64.48 -41.19 96.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.279 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.21 -43.58 98.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 109.04 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.05 -43.74 95.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.87 . . . . 0.0 109.064 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 58.6 t0 -60.09 -44.97 94.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 109.544 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.09 -39.94 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.233 -0.917 . . . . 0.0 109.372 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -40.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 108.791 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.0 -43.05 95.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.807 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 11.0 mpt_? -60.06 -40.96 91.27 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.96 . . . . 0.0 109.348 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.26 -39.94 88.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.967 -1.083 . . . . 0.0 109.262 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.03 -47.77 84.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 108.974 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.8 -41.99 99.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.329 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.16 -40.56 90.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.416 -0.803 . . . . 0.0 109.658 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.7 -40.42 92.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.134 -0.978 . . . . 0.0 109.917 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.5 mt -62.75 -40.09 96.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.044 -1.035 . . . . 0.0 109.616 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.1 p -63.65 -40.02 95.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.079 -1.013 . . . . 0.0 109.906 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.21 -40.0 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.281 -0.887 . . . . 0.0 109.136 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -59.98 -43.4 95.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.8 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.28 80.34 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 119.645 -1.264 . . . . 0.0 110.233 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -60.05 -49.98 75.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -1.213 . . . . 0.0 109.949 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.744 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.796 HD21 HH21 ' A' ' 41' ' ' ARG . 41.1 t30 -59.92 -41.53 91.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.52 -39.97 89.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.024 -1.048 . . . . 0.0 109.382 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.96 -41.29 91.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.194 -0.941 . . . . 0.0 109.961 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.761 -1.212 . . . . 0.0 108.116 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.796 HH21 HD21 ' A' ' 37' ' ' ASN . 31.9 mtt-85 -63.68 -40.01 95.75 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -40.15 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.453 -0.779 . . . . 0.0 109.303 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.8 p -60.06 -39.92 87.68 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.989 -1.07 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.98 85.71 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.784 -1.197 . . . . 0.0 109.709 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.77 -41.06 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.243 -0.91 . . . . 0.0 111.248 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.57 -39.06 92.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.597 -1.314 . . . . 0.0 108.444 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.03 -45.15 93.75 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.185 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 49.8 m-85 -65.53 -39.41 91.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.0 -1.062 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.88 -38.51 82.4 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.06 -39.9 87.6 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.05 -39.09 84.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.37 -0.831 . . . . 0.0 109.349 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.688 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.8 OUTLIER -59.95 -39.96 87.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.15 . . . . 0.0 109.102 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.755 -1.216 . . . . 0.0 108.161 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -59.93 -39.74 86.52 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.848 . . . . 0.0 108.963 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -69.46 118.48 12.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.044 -1.035 . . . . 0.0 108.756 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.535 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 32.6 m120 -133.63 -64.75 0.7 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.287 -0.883 . . . . 0.0 110.33 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.61 118.03 4.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -0.96 . . . . 0.0 110.01 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.785 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.7 m95 -100.76 129.57 46.67 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 63.73 21.77 65.51 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.72 23.45 0.16 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.598 -1.53 . . . . 0.0 108.688 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.22 111.24 2.39 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.443 -0.786 . . . . 0.0 109.202 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CD2' ' NE2' ' B' ' 64' ' ' GLN . 34.1 m-85 -121.38 11.59 10.74 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.368 -0.832 . . . . 0.0 110.358 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.74 25.16 2.18 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.449 ' NE2' ' CD2' ' C' ' 62' ' ' PHE . 31.6 mt-30 -143.66 152.62 41.57 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.75 57.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.0 108.622 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.04 158.14 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.513 -0.742 . . . . 0.0 110.019 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.48 133.61 47.37 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -90.35 112.93 24.69 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.56 -1.337 . . . . 0.0 110.179 -178.51 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 69' ' ' THR . 10.1 t -112.69 122.0 46.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.535 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 70.0 t -125.44 84.32 60.19 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.581 -0.699 . . . . 0.0 109.582 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.56 63.53 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.498 2.132 . . . . 0.0 110.881 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 25.4 t90 -67.18 133.86 93.51 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.476 -0.765 . . . . 0.0 109.094 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 79.4 Cg_exo -38.8 149.19 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.662 1.575 . . . . 0.0 111.042 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.703 HD21 ' NE2' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -130.3 -60.62 1.0 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.232 -0.917 . . . . 0.0 109.441 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.54 124.59 36.68 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.268 -0.895 . . . . 0.0 108.897 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.41 108.08 14.72 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.88 135.83 36.53 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.766 0.793 . . . . 0.0 110.33 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 78' ' ' THR . 6.7 t -90.26 115.21 63.53 Favored Pre-proline 0 N--CA 1.49 1.565 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -92.21 -47.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.691 1.594 . . . . 0.0 113.615 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.12 -44.27 2.29 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.19 93.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.325 -1.485 . . . . 0.0 113.272 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.566 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -76.31 -50.06 15.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.213 -1.555 . . . . 0.0 110.773 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.9 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.058 -1.026 . . . . 0.0 110.223 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.874 -1.141 . . . . 0.0 109.411 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 81' ' ' TRP . 60.7 p -68.89 -40.02 79.42 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.209 -0.932 . . . . 0.0 109.706 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -66.84 -39.91 87.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 109.189 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.0 -41.78 92.82 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.966 -1.084 . . . . 0.0 108.358 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.35 -41.54 97.24 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.951 . . . . 0.0 108.912 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.527 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.3 t90 -59.96 -49.92 75.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.396 -0.815 . . . . 0.0 109.752 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.08 -41.42 96.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.104 -0.998 . . . . 0.0 109.526 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.87 -40.86 96.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.99 -1.069 . . . . 0.0 110.444 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.21 -40.62 90.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.9 -1.125 . . . . 0.0 109.76 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.21 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 108.94 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.9 -47.62 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.432 -0.793 . . . . 0.0 110.201 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -61.69 -40.89 96.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.012 -1.055 . . . . 0.0 109.709 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.41 -40.25 81.33 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.181 -0.949 . . . . 0.0 109.151 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.66 -45.04 95.71 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.219 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.68 -40.46 96.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.26 -0.9 . . . . 0.0 109.446 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.91 -41.76 95.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.248 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.91 -48.03 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.329 -0.857 . . . . 0.0 109.366 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -59.98 -42.64 94.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.05 75.25 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.284 -0.885 . . . . 0.0 109.34 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.41 -44.27 97.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.234 -0.916 . . . . 0.0 109.396 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.8 -42.02 96.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.4 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -50.05 75.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.136 -0.977 . . . . 0.0 109.602 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.73 -42.8 98.04 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.282 -0.886 . . . . 0.0 109.254 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.18 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.387 -0.82 . . . . 0.0 109.754 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.96 -46.27 89.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.01 -49.15 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.235 -0.916 . . . . 0.0 109.303 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.403 HE22 ' HB3' ' C' ' 12' ' ' GLN . 62.4 tt0 -68.56 -39.98 80.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.196 -0.94 . . . . 0.0 110.233 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.0 -50.06 75.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.099 -1.0 . . . . 0.0 109.993 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.1 -39.92 96.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.64 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -64.22 -40.73 96.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.196 -0.94 . . . . 0.0 109.825 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.82 -44.89 95.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.082 . . . . 0.0 109.432 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.19 -41.18 94.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.226 -0.921 . . . . 0.0 109.016 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.95 -49.39 77.86 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.0 109.683 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.76 -40.03 90.98 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.171 -0.955 . . . . 0.0 109.458 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.84 -41.62 96.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.9 mt-30 -60.05 -41.2 91.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.173 -0.954 . . . . 0.0 109.816 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.19 -40.05 88.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.116 -0.99 . . . . 0.0 108.959 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.94 -48.17 82.8 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -116.75 57.89 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.496 1.836 0 O-C-N 120.996 -1.065 . . . . 0.0 109.059 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 93.0 mt-30 -70.1 144.79 52.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -89.74 60.77 5.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.194 -0.941 . . . . 0.0 109.078 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.06 -40.0 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.536 -0.728 . . . . 0.0 109.203 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.0 t -59.99 -42.77 94.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.194 -0.941 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 5' ' ' THR . 62.7 tp -66.44 -40.77 89.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.96 -1.087 . . . . 0.0 109.254 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.27 -39.94 88.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.509 -0.745 . . . . 0.0 109.832 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.02 85.05 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.018 -1.051 . . . . 0.0 108.634 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.11 -50.0 43.03 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.04 -47.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -1.182 . . . . 0.0 109.814 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.06 -41.89 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 108.22 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.87 -40.17 94.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.59 -0.694 . . . . 0.0 109.668 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.05 -41.71 92.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.544 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.36 -41.05 92.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.46 -42.69 96.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.379 -0.826 . . . . 0.0 109.152 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -64.4 -41.03 96.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.388 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.49 -43.47 98.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 108.976 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.1 -43.75 95.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.852 . . . . 0.0 109.002 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 58.3 t0 -60.03 -45.06 94.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.283 -0.886 . . . . 0.0 109.702 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.03 -39.96 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.223 -0.923 . . . . 0.0 109.294 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -40.61 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.188 -0.945 . . . . 0.0 108.801 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.02 -42.91 95.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.612 -0.68 . . . . 0.0 109.671 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 11.1 mpt_? -60.1 -40.87 91.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.304 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.38 -39.98 89.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.972 -1.08 . . . . 0.0 109.347 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.13 -47.74 84.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -62.75 -41.98 99.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.39 -40.26 96.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.297 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.37 -40.45 90.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.382 -0.824 . . . . 0.0 109.654 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.76 -40.43 92.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.017 -1.052 . . . . 0.0 109.952 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.507 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.0 mt -62.84 -39.97 96.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.05 -1.031 . . . . 0.0 109.628 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -63.49 -40.06 96.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.091 -1.006 . . . . 0.0 109.922 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.19 -40.03 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 109.181 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.94 -43.43 94.96 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 110.113 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.44 78.56 Favored Glycine 0 N--CA 1.487 2.069 0 C-N-CA 119.668 -1.253 . . . . 0.0 110.223 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.3 m -60.01 -49.91 75.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -1.194 . . . . 0.0 110.0 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.22 -40.01 88.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 0.0 109.722 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.802 HD21 HH21 ' B' ' 41' ' ' ARG . 41.2 t30 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.886 . . . . 0.0 109.794 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.45 -40.02 89.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.061 -1.024 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.03 -41.36 92.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 109.897 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -59.99 -40.29 88.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.665 -1.272 . . . . 0.0 108.114 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.802 HH21 HD21 ' B' ' 37' ' ' ASN . 32.3 mtt-85 -63.77 -39.99 95.6 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.13 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.431 -0.793 . . . . 0.0 109.305 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 79.2 p -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.977 -1.077 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.768 -1.207 . . . . 0.0 109.693 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.82 -40.95 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.225 -0.922 . . . . 0.0 111.255 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.88 -38.8 92.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.527 -1.358 . . . . 0.0 108.45 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.07 -45.09 94.06 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.167 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 49.2 m-85 -65.57 -39.53 91.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.983 -1.073 . . . . 0.0 109.971 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 mt -59.76 -38.59 82.2 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.03 -1.044 . . . . 0.0 108.781 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.03 -39.94 87.62 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.04 -39.12 84.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.391 -0.818 . . . . 0.0 109.342 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.685 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.8 OUTLIER -59.8 -40.11 87.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.855 -1.153 . . . . 0.0 109.067 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.29 84.02 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.819 -1.176 . . . . 0.0 108.16 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.379 -0.825 . . . . 0.0 108.852 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 118.54 12.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.961 -1.087 . . . . 0.0 108.778 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 32.8 m120 -133.65 -64.65 0.7 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.35 -0.844 . . . . 0.0 110.321 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.785 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.57 117.99 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.256 -0.902 . . . . 0.0 110.036 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.791 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.5 m95 -100.72 129.63 46.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.297 -0.877 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.71 21.9 65.61 Favored Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.667 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -76.77 23.44 0.17 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.489 -1.595 . . . . 0.0 108.685 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.13 111.46 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.442 -0.786 . . . . 0.0 109.252 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.448 ' CD2' ' NE2' ' C' ' 64' ' ' GLN . 34.3 m-85 -121.69 11.49 10.51 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 121.374 -0.829 . . . . 0.0 110.411 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.73 25.3 2.17 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.426 ' NE2' ' CD2' ' A' ' 62' ' ' PHE . 31.7 mt-30 -143.88 152.79 41.6 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -102.01 57.27 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.03 -1.044 . . . . 0.0 108.619 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.89 158.31 40.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.64 133.54 47.18 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.425 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -90.39 112.96 24.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.603 -1.31 . . . . 0.0 110.012 -178.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.525 ' O ' HG23 ' B' ' 69' ' ' THR . 10.0 t -112.86 122.01 46.38 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.529 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 67.1 t -125.28 84.44 59.67 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.485 -0.759 . . . . 0.0 109.7 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.78 63.58 6.41 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.566 2.177 . . . . 0.0 110.958 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' B' ' 73' ' ' PRO . 25.3 t90 -67.22 133.95 93.43 Favored Pre-proline 0 N--CA 1.487 1.408 0 O-C-N 121.535 -0.728 . . . . 0.0 109.091 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' B' ' 72' ' ' TRP . 80.7 Cg_exo -39.02 149.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 121.657 1.571 . . . . 0.0 110.926 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.688 HD21 ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -130.2 -60.45 1.01 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.287 -0.883 . . . . 0.0 109.48 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 124.6 36.72 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.195 -0.941 . . . . 0.0 108.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.4 107.74 14.43 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -79.59 135.92 36.72 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.779 0.8 . . . . 0.0 110.253 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.558 ' O ' HG23 ' B' ' 78' ' ' THR . 6.6 t -90.3 115.31 63.77 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -92.3 -46.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 121.678 1.585 . . . . 0.0 113.715 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -122.17 -44.33 2.28 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.05 94.16 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.363 -1.461 . . . . 0.0 113.142 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.577 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -76.58 -49.95 15.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.186 -1.571 . . . . 0.0 110.837 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.0 -49.99 75.51 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.029 -1.044 . . . . 0.0 110.175 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.01 -47.07 87.36 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.863 -1.148 . . . . 0.0 109.408 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 81' ' ' TRP . 60.1 p -68.91 -39.92 79.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.236 -0.915 . . . . 0.0 109.625 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -66.68 -40.02 88.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.866 -1.146 . . . . 0.0 109.208 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.08 -41.75 93.12 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.882 -1.136 . . . . 0.0 108.345 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.45 -41.52 97.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.96 . . . . 0.0 108.902 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.502 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.3 t90 -60.02 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.61 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -60.84 -41.78 96.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.073 -1.017 . . . . 0.0 109.449 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.65 -40.85 96.36 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.125 -0.985 . . . . 0.0 110.469 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.3 -40.7 91.46 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.12 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.147 -0.97 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.461 -0.774 . . . . 0.0 110.192 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -61.67 -41.12 97.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.952 -1.092 . . . . 0.0 109.667 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.18 -40.54 82.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.177 -0.952 . . . . 0.0 109.104 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.23 -45.64 93.72 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.193 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.12 -41.0 99.25 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.18 -42.29 96.75 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.187 -0.946 . . . . 0.0 109.192 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.66 -47.79 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.353 -0.842 . . . . 0.0 109.379 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 38.5 p -60.33 -42.39 95.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 109.462 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.98 75.45 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.367 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.41 -44.01 97.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.321 -0.862 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.1 -41.88 97.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -49.98 75.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.149 -0.969 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.89 -42.52 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.179 -0.951 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.99 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.32 -0.863 . . . . 0.0 109.797 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.93 -46.21 90.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.142 -0.974 . . . . 0.0 109.572 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.1 -49.04 85.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.184 -0.948 . . . . 0.0 109.306 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.426 HE22 ' HB3' ' A' ' 12' ' ' GLN . 62.4 tt0 -68.67 -40.05 80.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.128 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -49.93 75.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.006 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.08 -40.04 96.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.122 -0.986 . . . . 0.0 109.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -64.27 -40.46 96.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.855 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.29 -44.22 97.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.953 -1.092 . . . . 0.0 109.431 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 55.3 ttp -65.83 -40.98 92.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.241 -0.912 . . . . 0.0 109.014 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.95 -49.34 78.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.38 -0.825 . . . . 0.0 109.798 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.96 91.36 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.266 -0.896 . . . . 0.0 109.543 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -41.78 95.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.889 . . . . 0.0 109.485 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.8 mt-30 -60.03 -41.21 91.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.2 -39.95 88.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.913 . . . . 0.0 108.938 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.04 -48.25 82.48 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -116.67 57.81 0.77 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.497 1.889 0 O-C-N 120.984 -1.073 . . . . 0.0 109.054 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -70.01 144.59 52.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 109.14 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -89.39 60.63 5.31 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.161 -0.962 . . . . 0.0 109.213 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.03 -39.97 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 109.262 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.498 HG23 ' N ' ' C' ' 6' ' ' LEU . 4.9 t -60.03 -42.82 95.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.268 -0.895 . . . . 0.0 109.43 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.498 ' N ' HG23 ' C' ' 5' ' ' THR . 61.8 tp -66.29 -40.98 90.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 109.271 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.23 -39.71 87.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.541 -0.724 . . . . 0.0 109.892 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.96 86.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.064 -1.022 . . . . 0.0 108.638 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.0 -50.02 43.58 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.97 -47.79 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.254 -1.144 . . . . 0.0 109.804 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.93 -42.09 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.932 -1.105 . . . . 0.0 108.259 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.403 ' HB3' HE22 ' A' ' 110' ' ' GLN . 60.4 tt0 -61.49 -40.44 94.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.584 -0.698 . . . . 0.0 109.654 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.01 -41.57 92.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.672 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -60.27 -40.88 91.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.069 -1.019 . . . . 0.0 108.929 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.87 -42.48 97.96 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.481 -0.762 . . . . 0.0 109.117 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.401 ' O ' HG23 ' C' ' 20' ' ' VAL . 28.7 mt-30 -64.46 -41.02 96.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.181 -0.949 . . . . 0.0 109.372 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.59 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.133 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.0 -43.8 94.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.355 -0.841 . . . . 0.0 109.014 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 58.4 t0 -59.99 -45.06 93.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.282 -0.886 . . . . 0.0 109.637 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 16' ' ' GLN . 89.9 t -60.0 -40.09 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.859 . . . . 0.0 109.339 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.57 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.293 -0.88 . . . . 0.0 108.756 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.05 -43.02 95.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.625 -0.672 . . . . 0.0 109.714 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 11.0 mpt_? -60.08 -41.05 91.61 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.263 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.2 -40.05 88.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.013 -1.054 . . . . 0.0 109.272 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.06 -47.85 84.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.348 -0.845 . . . . 0.0 108.989 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.75 -41.78 99.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.323 -0.861 . . . . 0.0 109.643 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.52 -40.26 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.183 -0.948 . . . . 0.0 109.28 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.23 -40.8 91.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.329 -0.857 . . . . 0.0 109.618 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -40.63 91.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.527 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.8 mt -62.55 -40.09 95.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 0.0 109.662 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.5 p -63.52 -40.0 95.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -0.958 . . . . 0.0 110.014 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.27 -39.95 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.0 -43.49 95.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 110.139 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -49.45 78.41 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.281 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.163 -1.198 . . . . 0.0 110.015 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.24 -40.03 88.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.678 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.786 HD21 HH21 ' C' ' 41' ' ' ARG . 40.9 t30 -60.0 -41.3 91.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 0.0 109.773 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.66 -40.04 90.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.998 -1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.01 -41.22 91.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 109.908 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 30.8 p -60.08 -40.23 88.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.728 -1.232 . . . . 0.0 108.152 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.786 HH21 HD21 ' C' ' 37' ' ' ASN . 31.5 mtt-85 -63.89 -40.02 95.54 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.1 -40.18 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.393 -0.817 . . . . 0.0 109.166 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -60.01 -40.0 87.71 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.037 -1.039 . . . . 0.0 109.053 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.632 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.77 -40.96 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.252 -0.905 . . . . 0.0 111.304 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.401 ' H ' ' HG2' ' C' ' 46' ' ' GLU . 8.3 pt-20 -62.91 -38.82 92.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.579 -1.326 . . . . 0.0 108.452 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.03 -45.07 94.02 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.234 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 49.2 m-85 -65.8 -39.3 90.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.09 -1.006 . . . . 0.0 110.015 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.84 -38.56 82.39 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.98 -39.98 87.59 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.03 -39.17 84.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.326 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.703 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.813 -1.179 . . . . 0.0 109.109 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.42 84.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.768 -1.207 . . . . 0.0 108.115 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.91 -39.76 86.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.0 108.86 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 mt -69.55 118.54 12.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 108.8 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 32.7 m120 -133.54 -64.5 0.71 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.394 -0.816 . . . . 0.0 110.43 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.791 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.79 117.88 4.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.105 -0.997 . . . . 0.0 110.008 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.816 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.0 m95 -100.59 129.6 46.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.331 -0.856 . . . . 0.0 110.109 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 63.8 21.8 65.67 Favored Glycine 0 N--CA 1.488 2.144 0 C-N-CA 119.983 -1.104 . . . . 0.0 110.682 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.465 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.8 23.63 0.16 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.583 -1.539 . . . . 0.0 108.708 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.27 111.06 2.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.424 -0.797 . . . . 0.0 109.229 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . 0.449 ' CD2' ' NE2' ' A' ' 64' ' ' GLN . 34.6 m-85 -121.34 11.54 10.76 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.323 -0.86 . . . . 0.0 110.418 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.86 25.2 2.15 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' B' ' 62' ' ' PHE . 31.5 mt-30 -143.84 152.61 41.39 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -101.9 57.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.99 -1.069 . . . . 0.0 108.611 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.23 40.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.521 -0.737 . . . . 0.0 109.906 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -129.66 133.47 47.12 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.408 ' H ' HG22 ' C' ' 68' ' ' THR . 0.0 OUTLIER -90.17 113.02 24.72 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.643 -1.286 . . . . 0.0 110.272 -178.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.512 ' O ' HG23 ' C' ' 69' ' ' THR . 9.9 t -112.84 122.02 46.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.54 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 67.5 t -125.52 84.3 60.42 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.526 -0.734 . . . . 0.0 109.614 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.5 63.46 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.565 2.176 . . . . 0.0 110.836 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.7 t90 -67.12 134.0 93.64 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.97 149.43 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.136 0 C-N-CA 121.734 1.623 . . . . 0.0 110.944 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.685 HD21 ' NE2' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -130.38 -60.59 1.0 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.246 -0.908 . . . . 0.0 109.413 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.24 124.48 36.34 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.409 -0.807 . . . . 0.0 108.974 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.39 107.75 14.43 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -79.66 135.95 36.68 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.806 0.812 . . . . 0.0 110.199 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.557 HG23 ' O ' ' C' ' 78' ' ' THR . 6.7 t -90.54 115.29 63.81 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -92.29 -47.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.034 0 C-N-CA 121.652 1.568 . . . . 0.0 113.617 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.18 -44.13 2.29 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -60.36 -44.89 95.14 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.381 -1.45 . . . . 0.0 113.142 -175.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.578 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -76.59 -49.94 15.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.213 -1.554 . . . . 0.0 110.775 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -60.09 -49.94 75.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -47.06 87.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.925 -1.109 . . . . 0.0 109.32 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.451 HG23 ' O ' ' C' ' 81' ' ' TRP . 60.0 p -68.94 -39.89 79.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.256 -0.902 . . . . 0.0 109.784 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -66.61 -39.98 88.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.89 -1.131 . . . . 0.0 109.177 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.03 -42.09 93.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.909 -1.119 . . . . 0.0 108.26 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.12 -41.55 96.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.212 -0.93 . . . . 0.0 108.859 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.507 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.3 t90 -59.95 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 109.668 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.14 -41.63 97.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -40.97 96.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.375 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.27 -40.57 90.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.874 -1.141 . . . . 0.0 109.75 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.03 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.146 -0.971 . . . . 0.0 109.003 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.96 -47.58 85.2 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.391 -0.818 . . . . 0.0 110.194 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -61.83 -40.72 96.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.08 . . . . 0.0 109.623 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.47 -40.38 81.03 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.131 -0.981 . . . . 0.0 109.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.54 -45.29 94.82 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.281 -0.887 . . . . 0.0 109.238 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.33 -40.84 98.42 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.311 -0.868 . . . . 0.0 109.48 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.58 -42.23 95.76 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 0.0 109.127 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.46 -48.25 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.283 -0.886 . . . . 0.0 109.327 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -42.28 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -0.986 . . . . 0.0 109.406 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.93 75.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.26 -0.9 . . . . 0.0 109.363 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.43 -44.08 97.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.502 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.1 -41.78 97.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.157 -0.964 . . . . 0.0 109.591 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.84 -42.66 98.22 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.259 -0.901 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.97 87.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.314 -0.866 . . . . 0.0 109.745 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.0 -46.35 89.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.003 -1.061 . . . . 0.0 109.546 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.07 -49.0 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.299 -0.876 . . . . 0.0 109.316 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.72 -40.06 80.13 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.202 -0.936 . . . . 0.0 110.197 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -60.01 -49.87 75.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.031 -1.043 . . . . 0.0 110.036 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.19 -40.04 96.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.993 . . . . 0.0 109.618 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.12 -40.45 96.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.832 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.06 -44.52 96.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.004 -1.06 . . . . 0.0 109.47 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 55.0 ttp -65.56 -41.32 93.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.294 -0.879 . . . . 0.0 109.009 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.95 -49.05 79.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.405 -0.809 . . . . 0.0 109.733 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -40.2 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.56 -41.64 94.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.434 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -60.07 -41.43 92.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.811 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -59.95 -40.06 87.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.97 -48.33 82.16 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -116.64 58.08 0.77 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.479 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 m . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.033 . . . . 0.0 109.054 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.63 144.21 49.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.511 -0.743 . . . . 0.0 109.533 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -89.57 59.64 4.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 108.967 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.16 -40.0 95.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.444 -0.785 . . . . 0.0 109.518 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.05 -43.36 95.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.152 -0.968 . . . . 0.0 109.183 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' A' ' 5' ' ' THR . 63.5 tp -63.65 -41.72 98.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 0.0 108.411 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.88 -39.73 92.94 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.698 -0.626 . . . . 0.0 109.656 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.57 91.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.065 -1.022 . . . . 0.0 108.449 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.93 -44.35 68.59 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.11 -50.0 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -1.183 . . . . 0.0 110.541 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.15 -44.33 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.807 -1.183 . . . . 0.0 109.211 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.42 -40.0 89.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.91 -41.04 90.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.094 -1.004 . . . . 0.0 109.497 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.425 HE21 ' HG3' ' C' ' 14' ' ' GLN . 96.9 mt-30 -60.81 -41.61 96.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.047 -1.033 . . . . 0.0 109.379 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -46.03 90.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.409 -0.807 . . . . 0.0 109.515 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.89 -41.9 96.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 109.761 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.77 -40.46 97.36 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.186 -0.946 . . . . 0.0 109.404 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD11 HD23 ' A' ' 104' ' ' LEU . 63.2 tp -62.67 -41.62 99.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.175 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.98 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.19 -40.21 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.246 -0.908 . . . . 0.0 109.507 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -43.62 92.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.87 -40.26 94.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.49 -0.756 . . . . 0.0 109.07 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.3 mmt180 -60.68 -40.47 92.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.174 -0.954 . . . . 0.0 109.279 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.78 -39.95 90.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.172 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.05 -46.94 87.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.393 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.1 -40.42 94.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.155 -0.965 . . . . 0.0 109.349 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.77 -39.94 94.44 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.436 -0.79 . . . . 0.0 109.198 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.14 -40.33 89.44 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.156 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -40.18 91.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -0.987 . . . . 0.0 109.653 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.0 mt -63.25 -40.07 96.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.454 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.46 -40.07 95.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.964 -1.085 . . . . 0.0 109.301 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.72 -40.02 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.466 -0.771 . . . . 0.0 109.061 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.97 -43.62 94.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.353 -0.842 . . . . 0.0 110.122 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.97 -47.5 90.39 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.19 -50.03 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.253 . . . . 0.0 109.835 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.69 -40.23 91.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.759 HD21 HH21 ' A' ' 41' ' ' ARG . 46.1 t30 -60.1 -40.17 88.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.106 -0.996 . . . . 0.0 109.688 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.65 -40.06 90.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.9 -41.33 91.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -60.77 -40.57 93.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.899 -1.126 . . . . 0.0 109.036 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.759 HH21 HD21 ' A' ' 37' ' ' ASN . 33.9 mtt-85 -68.49 -39.98 81.12 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.445 -0.785 . . . . 0.0 109.081 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.98 -41.72 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.356 -0.84 . . . . 0.0 108.885 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.0 p -60.45 -39.93 89.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.069 -1.019 . . . . 0.0 109.301 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.65 94.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.155 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.97 -39.59 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.07 87.49 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.188 -0.945 . . . . 0.0 109.281 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.18 -43.48 95.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 109.378 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 60.5 m-85 -67.06 -40.01 86.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 109.671 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' HD22 ' A' ' 74' ' ' ASN . 82.9 mt -59.99 -39.98 87.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.751 -1.218 . . . . 0.0 108.05 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.61 -34.88 69.74 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.419 -1.426 . . . . 0.0 107.64 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -64.4 -28.24 69.55 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.492 HE22 HD21 ' A' ' 74' ' ' ASN . 6.5 tt0 -57.3 -45.93 83.68 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.94 87.42 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.277 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.48 117.33 16.18 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.137 -0.977 . . . . 0.0 108.861 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.718 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 77.5 m-20 -133.25 -71.1 0.52 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.428 -0.795 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.615 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.1 117.38 4.21 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 109.56 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.648 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 94.2 m95 -101.14 131.41 47.1 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.318 -0.864 . . . . 0.0 111.181 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 61.55 25.05 64.75 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.85 23.75 0.16 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.607 -1.525 . . . . 0.0 109.431 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.18 114.12 2.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.067 -1.021 . . . . 0.0 109.784 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -122.2 11.6 10.16 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.275 -0.891 . . . . 0.0 108.815 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.3 2.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -147.37 152.52 38.31 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 t -101.97 58.86 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.67 158.32 43.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.506 -0.746 . . . . 0.0 109.816 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -129.68 134.09 47.46 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 68' ' ' THR . 7.7 t -89.91 111.53 22.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 109.109 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.02 43.88 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.718 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 60.9 t -125.78 81.79 65.0 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 121.453 -0.779 . . . . 0.0 109.518 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -85.51 60.12 5.19 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.892 2.394 . . . . 0.0 111.628 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.532 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 29.8 t90 -71.78 131.47 85.88 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.528 -0.732 . . . . 0.0 109.59 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.532 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.0 Cg_exo -40.9 149.81 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.415 1.41 . . . . 0.0 110.978 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 2.6 t30 -130.42 -43.5 1.15 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.142 -0.974 . . . . 0.0 109.564 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.35 125.16 39.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.286 -0.884 . . . . 0.0 109.075 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -81.7 108.31 15.14 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.93 134.56 34.66 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.541 0.686 . . . . 0.0 110.165 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 78' ' ' THR . 5.7 t -93.61 113.39 60.17 Favored Pre-proline 0 N--CA 1.495 1.793 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.11 -48.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.575 1.517 . . . . 0.0 113.71 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -121.39 -44.04 2.38 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.05 -50.18 74.74 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.306 -1.496 . . . . 0.0 112.806 -175.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.2 t30 -70.25 -43.79 69.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.922 -1.737 . . . . 0.0 109.938 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -60.06 -50.12 74.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 111.104 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.42 -40.17 95.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.86 -1.15 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.9 p -70.14 -39.97 75.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.687 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.479 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -68.26 -39.94 82.08 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.35 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.08 -42.03 93.73 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.641 -1.287 . . . . 0.0 108.585 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.14 -42.81 95.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -60.03 -49.87 75.97 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.84 -40.03 95.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.109 -0.995 . . . . 0.0 109.37 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -61.18 -42.45 98.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.145 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.01 -43.5 95.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.825 -1.172 . . . . 0.0 108.34 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.01 -41.89 87.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.17 -44.8 94.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.281 -0.887 . . . . 0.0 110.614 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.26 -40.05 86.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.86 -1.15 . . . . 0.0 109.734 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.47 -39.94 81.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.056 -1.028 . . . . 0.0 108.995 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 101' ' ' THR . 86.4 tt0 -60.22 -45.07 94.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.58 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -46.26 90.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 0.0 109.714 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.461 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -60.02 -45.61 92.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.216 -0.928 . . . . 0.0 109.502 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -46.92 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.766 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 97' ' ' GLU . 75.5 p -59.95 -42.47 94.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.913 -1.117 . . . . 0.0 109.103 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -50.0 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.326 -0.859 . . . . 0.0 109.601 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.03 -43.81 95.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.846 . . . . 0.0 109.543 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.446 HD23 HD11 ' A' ' 18' ' ' LEU . 82.7 mt -61.18 -42.71 99.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 0.0 109.535 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.35 -43.49 96.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.14 -0.975 . . . . 0.0 109.55 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -68.16 -39.94 82.47 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.149 -0.969 . . . . 0.0 108.862 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.47 91.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.03 -47.6 85.19 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.051 -1.031 . . . . 0.0 109.37 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.99 -50.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.193 -0.942 . . . . 0.0 109.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.43 -40.15 85.47 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.411 -0.805 . . . . 0.0 110.249 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -59.92 -49.73 76.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.916 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.042 -1.036 . . . . 0.0 109.563 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.2 -39.86 89.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 109.842 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.1 -40.77 94.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.859 -1.15 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.04 -40.01 75.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.04 . . . . 0.0 108.891 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.08 -44.18 94.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 0.0 109.19 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.16 -40.1 88.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.028 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.01 -40.1 88.1 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.4 mt-30 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.0 109.686 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.99 -39.97 87.56 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.15 -0.969 . . . . 0.0 109.724 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.95 -47.57 85.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.56 61.18 1.32 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.081 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.26 144.34 50.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.458 -0.777 . . . . 0.0 109.486 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -89.53 59.68 4.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.95 . . . . 0.0 108.931 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -64.25 -40.04 95.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.825 . . . . 0.0 109.531 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.532 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.8 t -60.15 -42.75 95.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.23 -0.919 . . . . 0.0 109.324 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.532 ' N ' HG23 ' B' ' 5' ' ' THR . 63.8 tp -64.49 -41.03 96.7 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.27 -39.82 94.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.641 -0.662 . . . . 0.0 109.597 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.44 92.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.066 -1.021 . . . . 0.0 108.476 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -44.51 69.29 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.2 -49.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.289 -1.124 . . . . 0.0 110.518 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.09 -44.29 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.72 -1.238 . . . . 0.0 109.126 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -60.25 -40.06 88.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.331 -0.856 . . . . 0.0 109.76 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -41.34 91.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.217 -0.927 . . . . 0.0 109.488 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.425 ' HG3' HE21 ' C' ' 14' ' ' GLN . 96.9 mt-30 -60.57 -41.64 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.07 -45.88 91.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.0 109.411 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.87 -41.85 96.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.75 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.89 -41.04 99.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.31 -0.869 . . . . 0.0 109.341 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.449 HD11 HD23 ' B' ' 104' ' ' LEU . 62.6 tp -62.14 -41.66 98.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.14 -0.975 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -48.27 82.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.374 -0.829 . . . . 0.0 109.967 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.75 -39.98 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.35 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -43.43 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.09 -40.06 94.58 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.544 -0.723 . . . . 0.0 109.063 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.493 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.4 mmt180 -60.92 -40.41 93.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 109.304 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.7 -39.98 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.862 . . . . 0.0 109.192 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -60.02 -47.01 87.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.13 -40.33 94.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.079 -1.013 . . . . 0.0 109.332 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.74 -40.05 94.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.383 -0.823 . . . . 0.0 109.115 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.04 -40.33 89.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.383 -0.823 . . . . 0.0 109.26 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.79 -40.27 92.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.579 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.544 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.8 mt -63.27 -39.99 96.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.3 p -64.3 -40.02 95.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.982 -1.074 . . . . 0.0 109.299 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.07 -39.96 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.432 -0.792 . . . . 0.0 109.141 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -60.01 -43.36 95.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.382 -0.824 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.93 -47.76 89.03 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.04 -49.94 75.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -1.207 . . . . 0.0 109.93 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -60.9 -40.21 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.974 -1.079 . . . . 0.0 109.952 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.78 HD21 HH21 ' B' ' 41' ' ' ARG . 45.6 t30 -60.08 -40.11 88.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 109.581 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.69 -39.95 90.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.16 -0.963 . . . . 0.0 109.821 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.474 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' B' ' 43' ' ' THR . 65.7 p -60.64 -40.8 93.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.891 -1.131 . . . . 0.0 109.032 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.78 HH21 HD21 ' B' ' 37' ' ' ASN . 33.1 mtt-85 -68.34 -40.03 81.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.04 -41.76 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.935 . . . . 0.0 108.767 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 55.4 p -60.31 -40.03 89.08 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.07 -1.019 . . . . 0.0 109.377 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.69 94.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 0.0 109.12 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.97 -39.54 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.71 -40.07 86.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.273 -0.892 . . . . 0.0 109.264 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -60.37 -43.07 96.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.897 -1.127 . . . . 0.0 109.523 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 60.4 m-85 -67.48 -40.03 85.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 109.683 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' B' ' 52' ' ' GLN . 83.5 mt -60.01 -39.92 87.46 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.779 -1.201 . . . . 0.0 107.995 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.75 -34.84 69.97 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.452 -1.405 . . . . 0.0 107.644 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -64.36 -28.42 69.68 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.505 HE22 HD21 ' B' ' 74' ' ' ASN . 6.5 tt0 -56.96 -46.02 82.45 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.0 87.81 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.849 . . . . 0.0 109.196 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -74.46 117.23 16.04 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.122 -0.986 . . . . 0.0 108.849 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.69 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 76.2 m-80 -133.08 -70.8 0.53 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.31 -0.869 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.648 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.22 117.25 4.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.29 -0.881 . . . . 0.0 109.578 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.64 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 94.0 m95 -101.2 131.57 47.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.29 -0.881 . . . . 0.0 111.16 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.58 24.98 64.71 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.97 23.71 0.17 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.651 -1.499 . . . . 0.0 109.456 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.08 114.34 2.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.159 -0.963 . . . . 0.0 109.725 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -122.42 11.66 10.01 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.33 -0.856 . . . . 0.0 108.835 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' B' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.16 2.77 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -147.12 152.59 38.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.055 -1.028 . . . . 0.0 108.235 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 t -101.95 58.73 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.63 158.16 43.11 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.507 -0.746 . . . . 0.0 109.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.49 134.09 47.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.574 HG23 ' O ' ' B' ' 68' ' ' THR . 7.8 t -89.9 111.72 22.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.744 -1.222 . . . . 0.0 109.127 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.12 120.94 43.51 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.69 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 61.4 t -125.72 81.75 64.83 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.463 -0.773 . . . . 0.0 109.522 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.55 60.14 5.16 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.888 2.392 . . . . 0.0 111.639 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.529 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 31.1 t90 -71.75 131.4 86.0 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.518 -0.739 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.529 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.4 Cg_exo -40.81 149.76 0.15 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.489 1.46 . . . . 0.0 110.852 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 2.6 t30 -130.37 -43.23 1.16 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.158 -0.964 . . . . 0.0 109.546 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.33 125.18 39.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.842 . . . . 0.0 109.148 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -81.8 108.29 15.22 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -84.04 134.65 34.62 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.613 0.72 . . . . 0.0 110.161 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.567 ' O ' HG23 ' B' ' 78' ' ' THR . 5.8 t -93.62 113.38 60.15 Favored Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.596 -0.69 . . . . 0.0 109.186 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -90.3 -48.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.037 0 C-N-CA 121.506 1.471 . . . . 0.0 113.716 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -121.38 -44.26 2.37 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.01 -50.1 75.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.25 -1.531 . . . . 0.0 112.896 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.3 t30 -70.41 -43.75 69.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 119.937 -1.727 . . . . 0.0 109.914 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.96 -50.04 75.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.231 -0.918 . . . . 0.0 110.98 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.61 -40.24 95.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.806 -1.184 . . . . 0.0 109.969 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.2 p -70.06 -39.95 75.35 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.16 -0.963 . . . . 0.0 109.765 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.489 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.3 t-105 -68.08 -40.05 82.75 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.074 -1.016 . . . . 0.0 109.353 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.02 -42.16 93.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.732 -1.23 . . . . 0.0 108.531 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -42.86 95.56 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.1 t90 -59.96 -50.0 75.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.479 -0.763 . . . . 0.0 109.102 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.76 -40.27 96.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.309 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -60.75 -42.69 97.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.28 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.04 -43.36 95.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.904 -1.123 . . . . 0.0 108.406 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.06 -41.8 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.236 -0.915 . . . . 0.0 109.322 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.12 -44.84 94.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.462 -0.774 . . . . 0.0 110.633 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.3 -40.02 86.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.799 -1.188 . . . . 0.0 109.693 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.37 -40.11 81.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.058 -1.026 . . . . 0.0 109.008 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 109.582 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -46.01 90.87 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.211 -0.931 . . . . 0.0 109.704 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.7 t-20 -59.9 -45.89 91.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 109.541 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -46.85 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.197 -0.94 . . . . 0.0 109.82 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 75.9 p -59.95 -42.33 93.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.058 -1.026 . . . . 0.0 109.134 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -49.95 75.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.607 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.09 -43.64 95.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.601 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.449 HD23 HD11 ' B' ' 18' ' ' LEU . 83.2 mt -61.29 -42.98 99.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.17 -0.956 . . . . 0.0 109.417 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.1 -43.52 95.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.101 -0.999 . . . . 0.0 109.461 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.13 -40.02 82.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.208 -0.933 . . . . 0.0 109.053 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.66 91.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.222 -0.924 . . . . 0.0 109.659 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -47.73 84.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.018 -1.051 . . . . 0.0 109.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -59.97 -49.79 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.261 -0.9 . . . . 0.0 109.178 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.76 -39.96 84.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 110.249 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.04 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.179 -0.951 . . . . 0.0 109.741 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 0.5 OUTLIER -63.52 -40.06 96.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.053 . . . . 0.0 109.709 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.91 -39.96 91.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.239 -0.913 . . . . 0.0 109.826 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.85 -40.93 94.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.876 -1.14 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.96 -40.06 75.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 108.875 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.17 -44.19 95.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.798 . . . . 0.0 109.196 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.11 -0.994 . . . . 0.0 109.052 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.99 -40.16 88.19 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -60.07 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.216 -0.927 . . . . 0.0 109.719 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.99 -39.95 87.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 0.0 109.677 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.95 -47.62 85.04 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -126.76 61.19 1.33 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.879 -1.057 . . . . 0.0 109.072 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.73 144.56 49.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.477 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' C' ' 3' ' ' SER . 23.8 p -89.71 59.76 4.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.416 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.541 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.0 t -60.08 -43.02 95.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.279 -0.888 . . . . 0.0 109.241 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.541 ' N ' HG23 ' C' ' 5' ' ' THR . 63.0 tp -64.31 -41.32 96.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.112 -0.992 . . . . 0.0 108.393 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.01 -39.8 93.52 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.651 -0.656 . . . . 0.0 109.616 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.44 91.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.076 -1.015 . . . . 0.0 108.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -44.24 68.63 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.19 -50.02 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 110.426 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.16 -44.44 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 109.201 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.827 . . . . 0.0 109.841 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.108 -0.995 . . . . 0.0 109.446 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.425 ' HG3' HE21 ' A' ' 14' ' ' GLN . 96.9 mt-30 -60.24 -41.83 93.96 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.993 -1.067 . . . . 0.0 109.317 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.04 -46.11 90.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.402 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.73 -42.03 96.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.157 -0.964 . . . . 0.0 109.746 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -40.8 98.32 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.446 HD11 HD23 ' C' ' 104' ' ' LEU . 62.8 tp -62.35 -41.63 98.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.251 -0.906 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.02 -48.81 80.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.11 -40.1 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.0 109.466 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -43.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.74 -40.27 94.52 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.461 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.1 mmt180 -60.79 -40.78 93.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 109.164 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.52 -39.98 89.76 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.196 -0.94 . . . . 0.0 109.131 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.03 -47.12 87.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.0 109.459 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.99 -40.27 94.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 0.0 109.324 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.89 -40.0 94.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.402 -0.811 . . . . 0.0 109.014 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.93 -40.39 88.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.366 -0.834 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.64 -40.57 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.25 -0.907 . . . . 0.0 109.63 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.539 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.7 mt -62.89 -39.95 96.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.171 -0.955 . . . . 0.0 109.537 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.7 p -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.982 -1.074 . . . . 0.0 109.202 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.89 -40.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.305 -0.872 . . . . 0.0 109.188 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -60.06 -43.4 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 0.0 110.055 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -47.65 89.65 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.08 -50.0 75.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -1.204 . . . . 0.0 109.786 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -60.74 -40.31 91.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.771 HD21 HH21 ' C' ' 41' ' ' ARG . 45.6 t30 -59.98 -40.53 89.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.987 . . . . 0.0 109.576 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.2 -40.05 88.7 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 109.875 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.983 -1.073 . . . . 0.0 109.423 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -60.41 -40.86 92.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.884 -1.135 . . . . 0.0 109.053 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.771 HH21 HD21 ' C' ' 37' ' ' ASN . 33.0 mtt-85 -68.38 -39.96 81.55 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.32 -0.862 . . . . 0.0 109.136 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.96 -41.74 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.181 -0.949 . . . . 0.0 108.952 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 50.5 p -60.32 -40.02 89.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 109.305 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.39 94.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.16 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.98 -39.7 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.04 87.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.127 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.27 -43.41 96.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.053 -1.029 . . . . 0.0 109.342 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 60.5 m-85 -67.17 -40.02 86.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.9 . . . . 0.0 109.695 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' C' ' 52' ' ' GLN . 83.5 mt -59.92 -40.06 87.57 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.763 -1.211 . . . . 0.0 108.006 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.65 -34.82 69.75 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.416 -1.427 . . . . 0.0 107.67 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -64.45 -28.2 69.51 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.516 HE22 HD21 ' C' ' 74' ' ' ASN . 6.5 tt0 -57.31 -45.97 83.67 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.401 -0.812 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.61 117.3 16.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.008 -1.057 . . . . 0.0 108.848 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.694 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 77.0 m-20 -133.32 -70.83 0.52 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.297 -0.877 . . . . 0.0 110.411 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.64 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.32 117.45 4.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.0 109.534 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.615 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 93.8 m95 -101.24 131.61 47.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.324 -0.86 . . . . 0.0 111.09 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 61.44 25.2 64.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.01 23.62 0.17 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.662 -1.493 . . . . 0.0 109.448 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -159.13 114.17 2.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -122.18 11.6 10.17 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.323 -0.86 . . . . 0.0 108.898 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' C' ' 63' ' ' ARG . 24.1 ttt180 -138.08 22.08 2.82 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -147.13 152.6 38.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 108.306 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -101.83 58.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.58 158.18 43.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.502 -0.749 . . . . 0.0 109.998 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.37 134.16 47.74 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.596 ' O ' HG23 ' C' ' 68' ' ' THR . 7.7 t -89.93 111.87 23.07 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.7 -1.25 . . . . 0.0 109.124 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.27 120.94 43.44 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.694 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 62.7 t -125.72 81.57 65.1 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -85.44 60.16 5.26 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.832 2.355 . . . . 0.0 111.669 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.526 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 30.3 t90 -71.71 131.52 85.96 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 109.585 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.526 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 78.5 Cg_exo -40.83 149.75 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.527 1.484 . . . . 0.0 110.876 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 2.6 t30 -130.45 -42.97 1.16 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.191 -0.943 . . . . 0.0 109.574 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.84 125.35 40.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.275 -0.89 . . . . 0.0 109.06 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.4 t -81.64 108.34 15.12 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.2 mt -84.11 134.84 34.58 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.65 0.738 . . . . 0.0 110.102 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.548 HG23 ' O ' ' C' ' 78' ' ' THR . 5.8 t -93.8 113.19 59.8 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.561 -0.712 . . . . 0.0 109.237 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -90.12 -48.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.563 1.509 . . . . 0.0 113.777 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.33 -44.05 2.39 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -60.1 -50.02 75.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.305 -1.497 . . . . 0.0 112.903 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.8 t30 -70.45 -43.56 69.58 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 119.852 -1.78 . . . . 0.0 109.802 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -60.27 -49.95 75.59 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.29 -0.881 . . . . 0.0 110.988 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.29 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.749 -1.219 . . . . 0.0 109.894 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 40.4 p -69.99 -40.05 75.55 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.487 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 37.1 t-105 -68.08 -39.95 82.79 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.41 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.682 -1.261 . . . . 0.0 108.58 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.08 -42.78 95.35 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.544 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 62.4 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.491 -0.755 . . . . 0.0 108.996 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.8 -40.17 96.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.357 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -60.79 -42.72 98.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.0 -43.24 95.32 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.473 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.17 -41.56 87.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 0.0 109.306 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.33 -44.97 95.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.235 -0.916 . . . . 0.0 110.65 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -67.27 -39.93 86.13 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.802 -1.186 . . . . 0.0 109.72 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.3 -40.13 81.82 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 109.088 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' C' ' 101' ' ' THR . 86.4 tt0 -60.23 -44.98 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.579 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -46.18 90.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.284 -0.885 . . . . 0.0 109.676 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.493 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.6 t-20 -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -46.97 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.343 -0.848 . . . . 0.0 109.764 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' C' ' 97' ' ' GLU . 76.4 p -60.02 -42.46 94.41 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.088 -1.007 . . . . 0.0 109.063 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.97 75.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.634 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.02 -43.85 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.632 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.446 HD23 HD11 ' C' ' 18' ' ' LEU . 82.2 mt -61.32 -42.74 99.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 0.0 109.443 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.0 109.656 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.17 -40.05 82.39 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.254 -0.904 . . . . 0.0 108.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.52 91.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.279 -0.888 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.13 -47.39 86.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.091 -1.005 . . . . 0.0 109.438 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 109.247 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -67.56 -40.1 84.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.434 -0.791 . . . . 0.0 110.184 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -60.01 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 109.917 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 0.5 OUTLIER -63.42 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.975 -1.078 . . . . 0.0 109.602 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.13 -39.99 90.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.131 -0.981 . . . . 0.0 109.804 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.6 -41.17 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.945 -1.097 . . . . 0.0 109.522 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.0 -40.0 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.065 -1.022 . . . . 0.0 108.922 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.05 -44.15 94.9 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.17 -39.93 88.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.176 -0.952 . . . . 0.0 109.168 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.06 -40.08 88.23 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.555 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.6 mt-30 -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.677 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 109.754 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.76 -47.59 85.05 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -126.6 61.09 1.32 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.659 -0.651 . . . . 0.0 109.254 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.555 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 117.888 -1.054 . . . . 0.0 109.176 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.527 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.0 mt-30 -69.54 144.01 53.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 109.117 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.06 60.28 5.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.104 -0.997 . . . . 0.0 108.887 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.91 -40.0 87.58 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.513 -0.742 . . . . 0.0 109.443 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -61.09 -42.28 98.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.56 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 5' ' ' THR . 61.9 tp -60.76 -42.61 97.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 108.953 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.2 mt -60.04 -39.98 87.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.456 -0.778 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.173 -0.954 . . . . 0.0 108.672 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.32 -47.1 45.76 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -48.82 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.143 -1.21 . . . . 0.0 109.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.02 -41.14 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.046 -1.034 . . . . 0.0 108.619 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.82 -40.04 91.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.562 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.0 -41.59 92.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.14 -0.975 . . . . 0.0 109.592 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.02 -40.47 89.39 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.064 -1.023 . . . . 0.0 109.104 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.12 -43.37 95.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.484 -0.76 . . . . 0.0 109.779 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.11 -40.42 96.16 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.45 -40.83 95.91 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.985 . . . . 0.0 109.116 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.502 HD11 HD23 ' A' ' 104' ' ' LEU . 34.8 tp -60.08 -42.91 95.6 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.815 . . . . 0.0 109.135 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.3 t0 -60.07 -46.3 90.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.398 -0.814 . . . . 0.0 110.209 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.01 -39.99 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.0 109.822 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.4 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.128 -0.983 . . . . 0.0 108.465 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.02 -40.02 94.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' A' ' 23' ' ' ARG . 23.2 mmt-85 -60.0 -40.3 88.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 109.136 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.29 85.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.293 -0.88 . . . . 0.0 108.924 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -59.92 -48.96 79.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.888 . . . . 0.0 110.04 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.65 -40.39 95.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.72 -1.237 . . . . 0.0 109.674 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.67 -42.32 96.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 109.423 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.05 -40.05 88.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.237 -0.914 . . . . 0.0 110.035 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.056 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -64.19 -40.73 96.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 109.661 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.0 p -63.16 -39.99 96.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.072 -1.017 . . . . 0.0 109.397 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.04 -39.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.307 -0.87 . . . . 0.0 108.984 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.15 -42.54 95.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.776 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.32 -47.69 89.84 Favored Glycine 0 N--CA 1.488 2.133 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -49.92 75.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.918 -1.342 . . . . 0.0 109.202 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.8 -39.97 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 40' ' ' THR . 28.5 t-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 109.715 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 38' ' ' LEU . 88.6 mt -59.92 -40.11 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 0.0 108.376 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.92 -39.85 86.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.44 -0.788 . . . . 0.0 109.268 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 60.5 p -59.74 -40.21 87.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.735 -1.228 . . . . 0.0 108.623 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.563 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 45.3 mtt-85 -62.64 -39.92 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.843 -1.161 . . . . 0.0 108.684 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.06 -42.98 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 109.058 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.9 p -59.91 -40.3 88.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.034 -1.041 . . . . 0.0 109.139 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.4 75.72 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.427 -1.421 . . . . 0.0 109.204 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.11 -40.02 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.64 -39.99 90.34 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.673 -1.267 . . . . 0.0 108.502 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.17 -41.99 97.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.019 -1.051 . . . . 0.0 109.188 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 42.0 m-85 -64.67 -39.74 94.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 109.509 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.85 -37.59 79.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.876 -1.14 . . . . 0.0 108.118 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.0 -39.32 85.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.787 -1.196 . . . . 0.0 108.167 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -59.22 -39.84 83.99 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.871 -1.143 . . . . 0.0 108.168 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.08 -39.39 85.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 108.799 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.74 -34.28 62.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.886 -1.134 . . . . 0.0 108.82 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.43 -39.9 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.64 116.9 17.74 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.766 HD22 ' H ' ' A' ' 70' ' ' VAL . 67.7 m-80 -132.41 -69.43 0.58 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.264 -0.897 . . . . 0.0 109.204 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.45 87.56 1.32 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -100.45 126.62 46.87 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.772 -0.58 . . . . 0.0 109.971 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 110.63 -4.26 29.33 Favored Glycine 0 N--CA 1.498 2.814 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.664 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.43 25.71 0.31 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.0 -1.883 . . . . 0.0 109.366 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.45 102.57 14.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.585 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 17.7 m-85 -107.34 7.49 29.21 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.827 -1.171 . . . . 0.0 109.864 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.68 24.59 0.28 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.5 152.49 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.723 -0.611 . . . . 0.0 109.477 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.95 57.53 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 159.93 44.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.504 -0.748 . . . . 0.0 109.969 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -119.49 134.48 55.2 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.29 121.63 37.15 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.767 0.794 . . . . 0.0 110.916 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.27 123.05 49.09 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.766 ' H ' HD22 ' A' ' 56' ' ' ASN . 20.4 t -125.59 83.43 61.93 Favored Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.353 -0.842 . . . . 0.0 109.811 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.89 65.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 122.939 2.426 . . . . 0.0 112.122 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 47.5 t90 -68.73 130.07 92.04 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.077 -1.014 . . . . 0.0 108.657 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 57.3 Cg_exo -36.89 147.91 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.761 1.64 . . . . 0.0 111.946 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 40.5 t-20 -130.12 -60.1 1.03 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.461 -0.775 . . . . 0.0 109.49 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.69 126.2 36.69 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.042 -1.036 . . . . 0.0 108.994 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 p -80.51 108.57 14.25 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.78 136.14 35.43 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.401 0.62 . . . . 0.0 109.96 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -91.94 112.26 53.91 Favored Pre-proline 0 N--CA 1.492 1.654 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -92.91 -48.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.84 1.693 . . . . 0.0 114.867 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.4 -44.27 2.37 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.379 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.5 p90 -60.01 -51.65 68.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.292 -1.505 . . . . 0.0 112.006 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 2.0 t30 -79.58 -41.65 26.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.09 -1.631 . . . . 0.0 110.075 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.02 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.267 -0.896 . . . . 0.0 109.844 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.94 -48.4 81.84 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.087 -1.008 . . . . 0.0 109.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 81' ' ' TRP . 71.5 p -65.31 -40.25 93.53 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.285 -0.884 . . . . 0.0 109.774 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -60.56 -39.95 89.85 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.055 -1.028 . . . . 0.0 109.373 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -42.1 93.53 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.853 -1.155 . . . . 0.0 108.288 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.0 -39.99 94.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.245 -0.909 . . . . 0.0 109.009 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.441 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -59.97 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.64 -44.2 96.65 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -42.62 98.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 110.864 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.43 -42.51 96.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.776 -1.203 . . . . 0.0 109.383 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.57 -41.15 86.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.077 -1.014 . . . . 0.0 108.706 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.66 -45.12 95.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.496 -0.753 . . . . 0.0 110.686 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -63.84 -41.95 97.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.811 -1.181 . . . . 0.0 109.684 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.66 -41.1 92.9 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.997 -1.065 . . . . 0.0 108.778 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.11 -48.28 82.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.374 -0.829 . . . . 0.0 109.137 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.27 -44.51 95.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.396 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.26 -44.31 95.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.519 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.18 -45.27 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.408 -0.808 . . . . 0.0 109.329 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.8 p -60.67 -41.97 96.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.259 -0.901 . . . . 0.0 109.889 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.33 99.05 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.036 . . . . 0.0 109.165 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.94 -42.21 90.33 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.502 HD23 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -61.14 -46.66 89.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.086 -1.009 . . . . 0.0 108.738 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.99 -41.28 96.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.538 -0.726 . . . . 0.0 109.432 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.88 95.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.401 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 26.0 mm100 -60.1 -46.72 88.68 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.411 -0.806 . . . . 0.0 109.491 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.92 -49.95 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.132 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.33 -40.17 93.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.942 . . . . 0.0 109.22 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.94 -49.46 77.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.505 -0.747 . . . . 0.0 109.439 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.18 -40.66 98.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.946 . . . . 0.0 109.278 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -63.14 -40.07 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.431 -0.793 . . . . 0.0 109.634 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.75 -40.53 84.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.959 -1.088 . . . . 0.0 109.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -69.19 -40.08 78.3 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.92 -47.47 85.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.88 -40.09 91.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.02 -41.79 92.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.9 mt-30 -60.34 -40.49 90.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.745 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -60.39 -39.94 89.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.183 -0.948 . . . . 0.0 109.219 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.82 -49.04 79.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.94 56.98 0.76 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.403 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 95.9 mt-30 -69.73 143.99 52.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.892 . . . . 0.0 109.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.25 60.32 5.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.112 -0.993 . . . . 0.0 108.821 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.86 -40.02 87.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.535 -0.728 . . . . 0.0 109.519 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -61.24 -42.27 98.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.204 -0.935 . . . . 0.0 109.527 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' B' ' 5' ' ' THR . 61.8 tp -60.65 -42.55 97.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.141 -0.974 . . . . 0.0 108.851 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.51 -0.743 . . . . 0.0 109.772 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.199 -0.938 . . . . 0.0 108.668 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.43 -47.03 45.27 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -48.88 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.257 -1.143 . . . . 0.0 109.809 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.94 -41.33 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.125 -0.984 . . . . 0.0 108.589 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.79 -39.94 90.76 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.559 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -59.99 -41.52 92.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 109.675 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.08 -40.41 89.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.968 . . . . 0.0 109.005 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.06 -43.25 95.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.787 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.09 -40.75 96.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.101 -1.0 . . . . 0.0 109.908 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.09 -40.83 95.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.506 HD11 HD23 ' B' ' 104' ' ' LEU . 34.3 tp -60.21 -43.0 96.33 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.509 -0.744 . . . . 0.0 109.084 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.97 -46.33 89.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 110.202 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.99 -40.09 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 109.894 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 67.0 t -59.94 -40.67 83.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.153 -0.967 . . . . 0.0 108.568 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.0 -40.01 94.19 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.304 0.573 . . . . 0.0 109.454 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.445 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 23.9 mmt-85 -60.11 -40.27 89.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.384 -0.823 . . . . 0.0 109.02 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.97 -39.58 86.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.387 -0.821 . . . . 0.0 108.869 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.93 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -64.71 -40.37 95.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.774 -1.204 . . . . 0.0 109.605 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.59 -42.48 96.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.468 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.17 -39.89 88.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.242 -0.911 . . . . 0.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.0 108.98 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.1 mt -64.17 -40.92 97.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 58.1 p -62.83 -39.99 96.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.122 -0.986 . . . . 0.0 109.445 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.16 -39.9 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.04 -42.79 95.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.807 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.62 90.12 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.624 -1.274 . . . . 0.0 110.195 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -50.01 75.42 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.006 -1.29 . . . . 0.0 109.252 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -61.04 -39.95 91.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.299 -0.875 . . . . 0.0 109.148 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.96 -40.14 88.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.275 -0.891 . . . . 0.0 109.672 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.98 -39.94 87.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.04 -1.037 . . . . 0.0 108.399 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.09 -39.89 87.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.391 -0.818 . . . . 0.0 109.242 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 59.6 p -59.62 -40.19 86.74 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.73 -1.231 . . . . 0.0 108.587 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.562 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 46.3 mtt-85 -62.7 -40.0 95.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.858 -1.151 . . . . 0.0 108.587 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.03 -42.8 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -59.97 -40.27 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -1.0 . . . . 0.0 109.161 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.4 75.22 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.307 -1.496 . . . . 0.0 109.21 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.98 -40.12 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 110.657 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.63 -40.03 90.4 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.633 -1.227 . . . . 0.0 108.54 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.04 -41.57 96.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.935 -1.103 . . . . 0.0 109.339 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 41.8 m-85 -65.15 -39.93 93.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.342 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 49' ' ' LEU . 64.9 mt -59.82 -37.43 79.14 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.842 -1.161 . . . . 0.0 108.177 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.97 -39.38 85.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 108.195 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.31 -39.77 84.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.811 -1.181 . . . . 0.0 108.041 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.525 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.55 86.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.893 -1.129 . . . . 0.0 108.773 178.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.68 -34.17 61.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.834 -1.166 . . . . 0.0 108.819 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.63 -39.88 85.75 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.73 117.15 18.06 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.771 HD22 ' H ' ' B' ' 70' ' ' VAL . 67.4 m-80 -132.64 -69.23 0.58 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.188 -0.945 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.6 87.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -100.25 126.35 46.54 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.815 -0.553 . . . . 0.0 109.977 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 110.82 -4.35 29.05 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.785 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.45 25.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.012 -1.875 . . . . 0.0 109.364 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.566 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.45 102.23 14.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.441 -0.787 . . . . 0.0 109.562 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.56 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 18.4 m-85 -106.97 7.51 29.97 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.862 -1.149 . . . . 0.0 109.909 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -157.78 24.56 0.27 Allowed 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -144.54 152.59 40.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.661 -0.649 . . . . 0.0 109.51 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -111.01 57.5 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.88 159.95 43.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.489 -0.757 . . . . 0.0 109.984 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.46 134.43 55.22 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.41 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -95.21 121.64 37.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.416 -0.803 . . . . 0.0 110.788 -178.081 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.21 123.14 49.23 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.771 ' H ' HD22 ' B' ' 56' ' ' ASN . 20.4 t -125.67 83.34 62.31 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.319 -0.863 . . . . 0.0 109.713 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.85 65.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.885 2.39 . . . . 0.0 112.043 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' B' ' 70' ' ' VAL . 47.7 t90 -68.67 130.36 91.93 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.896 -1.127 . . . . 0.0 108.705 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 62.4 Cg_exo -37.13 147.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.585 1.523 . . . . 0.0 112.005 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 40.7 t-20 -130.3 -60.15 1.01 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.427 -0.796 . . . . 0.0 109.51 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.56 126.16 36.55 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.829 -1.169 . . . . 0.0 109.025 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.1 p -80.35 108.44 13.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 mt -81.74 136.1 35.47 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.453 0.644 . . . . 0.0 109.888 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.668 ' O ' HG23 ' B' ' 78' ' ' THR . 14.0 t -91.86 112.25 53.74 Favored Pre-proline 0 N--CA 1.492 1.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -92.89 -48.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 121.769 1.646 . . . . 0.0 114.952 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -121.24 -44.24 2.39 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.157 -0.964 . . . . 0.0 113.345 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.6 p90 -59.94 -51.52 69.34 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.31 -1.494 . . . . 0.0 112.075 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 2.0 t30 -79.72 -41.44 26.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.11 -1.619 . . . . 0.0 109.956 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.942 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -48.6 81.03 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.111 -0.993 . . . . 0.0 109.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 81' ' ' TRP . 71.4 p -64.87 -39.99 94.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.135 -0.978 . . . . 0.0 109.901 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -60.95 -40.02 91.71 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.285 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -41.56 92.44 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.853 -1.155 . . . . 0.0 108.23 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.46 -39.98 95.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.485 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.5 t90 -59.99 -49.84 76.08 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.44 -44.63 95.6 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.32 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.66 -43.03 98.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.789 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.14 -42.19 94.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.682 -1.261 . . . . 0.0 109.611 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.92 -40.93 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 120.97 -1.081 . . . . 0.0 108.895 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.04 -44.89 96.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.518 -0.739 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -63.74 -41.7 97.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.728 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.9 90.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.123 -0.986 . . . . 0.0 108.819 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.27 -48.13 83.07 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.319 -0.863 . . . . 0.0 109.085 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -44.38 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.267 -0.895 . . . . 0.0 109.469 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.41 -44.14 96.02 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.307 -0.871 . . . . 0.0 109.512 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.46 -44.94 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 76.7 p -61.28 -41.02 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.924 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.89 99.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.148 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.65 -41.77 87.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.167 -0.958 . . . . 0.0 109.429 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.506 HD23 HD11 ' B' ' 18' ' ' LEU . 84.7 mt -61.5 -46.25 90.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.978 . . . . 0.0 108.752 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.07 -48.1 83.14 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.04 -41.17 96.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.98 95.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 108.86 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -60.05 -46.92 87.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.301 -0.874 . . . . 0.0 109.551 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.247 -0.908 . . . . 0.0 109.132 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -65.4 -40.08 93.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 109.152 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.95 -49.59 77.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.389 -0.819 . . . . 0.0 109.368 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -63.06 -40.81 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.977 . . . . 0.0 109.318 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.93 -40.06 96.48 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.22 82.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.922 -1.111 . . . . 0.0 109.366 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -39.93 77.81 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -60.01 -47.4 85.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.567 -0.708 . . . . 0.0 109.455 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.98 91.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 109.545 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.09 -41.71 93.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.285 -0.884 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.9 mt-30 -60.23 -40.37 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.52 -39.99 89.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.251 -0.906 . . . . 0.0 109.194 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.68 -49.28 78.34 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.62 56.77 0.75 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 95.7 mt-30 -69.66 144.11 53.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.977 . . . . 0.0 109.095 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -89.2 59.87 5.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.988 -1.07 . . . . 0.0 108.888 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.94 -40.02 87.47 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.537 -0.727 . . . . 0.0 109.645 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -61.03 -42.3 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.489 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' C' ' 5' ' ' THR . 62.1 tp -60.58 -42.7 97.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -0.872 . . . . 0.0 108.99 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.15 -39.97 88.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.699 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.91 86.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.114 -0.992 . . . . 0.0 108.734 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.05 44.24 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -48.96 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.184 -1.186 . . . . 0.0 109.688 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -59.98 -40.99 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 120.994 -1.066 . . . . 0.0 108.641 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.86 -40.06 91.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.429 -0.795 . . . . 0.0 109.576 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.01 -41.34 91.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.581 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.47 89.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.99 . . . . 0.0 109.094 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.02 -43.32 95.34 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.347 -0.846 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.81 97.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.028 -1.045 . . . . 0.0 109.939 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.11 -41.0 95.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.244 -0.91 . . . . 0.0 109.17 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.507 HD11 HD23 ' C' ' 104' ' ' LEU . 34.0 tp -60.05 -43.16 95.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . 0.451 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 55.6 t0 -59.97 -46.14 90.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.441 -0.787 . . . . 0.0 110.311 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.97 -40.04 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 109.79 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.02 -40.49 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.08 -1.012 . . . . 0.0 108.422 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.12 -40.07 94.65 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.451 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 23.7 mmt-85 -60.01 -40.24 88.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.02 -39.56 86.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 108.882 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -59.94 -48.77 80.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -0.94 . . . . 0.0 109.989 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -64.62 -40.07 94.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.643 -1.286 . . . . 0.0 109.681 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.23 -41.88 97.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.136 -0.978 . . . . 0.0 109.299 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.29 -40.01 88.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.1 -39.95 87.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 109.016 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.441 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.5 mt -64.1 -40.78 96.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.734 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.0 p -63.17 -39.99 96.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 109.43 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.05 -39.95 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -60.08 -42.62 94.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.376 -0.827 . . . . 0.0 109.889 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.16 -47.63 90.1 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.18 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -49.96 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.974 -1.309 . . . . 0.0 109.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.96 -40.07 91.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.219 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.91 -40.07 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.98 -39.95 87.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 108.506 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.04 -39.71 86.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.787 -1.196 . . . . 0.0 108.639 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' A' ' 82' ' ' ASN . 45.2 mtt-85 -62.75 -39.92 95.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.931 -1.106 . . . . 0.0 108.618 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.13 -42.69 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 81.6 p -60.05 -40.13 88.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.063 -1.023 . . . . 0.0 109.178 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.37 74.78 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.415 -1.428 . . . . 0.0 109.218 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.84 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.568 -0.708 . . . . 0.0 110.593 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -40.01 91.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.753 -1.217 . . . . 0.0 108.578 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.18 -41.64 97.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.971 -1.081 . . . . 0.0 109.191 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 42.2 m-85 -64.99 -39.89 94.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.956 -1.09 . . . . 0.0 109.42 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.0 mt -59.79 -37.41 79.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.184 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.93 -39.5 85.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.932 -1.105 . . . . 0.0 108.152 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.38 -39.66 84.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.873 -1.142 . . . . 0.0 108.142 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -59.99 -39.62 86.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.022 -1.049 . . . . 0.0 108.803 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.36 62.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.976 -1.078 . . . . 0.0 108.811 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.27 -39.85 84.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -76.75 117.07 18.0 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.799 HD22 ' H ' ' C' ' 70' ' ' VAL . 68.1 m-80 -132.57 -69.5 0.58 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.21 -0.931 . . . . 0.0 109.135 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.34 87.32 1.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -100.27 126.79 46.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.716 -0.615 . . . . 0.0 109.918 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 110.18 -3.74 29.94 Favored Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.759 177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.63 25.82 0.33 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 119.928 1.864 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.576 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.58 102.27 14.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.372 -0.83 . . . . 0.0 109.61 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 17.7 m-85 -106.97 7.52 29.96 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.855 -1.153 . . . . 0.0 109.902 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.78 24.86 0.27 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.82 152.44 40.31 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.742 -0.598 . . . . 0.0 109.497 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -110.88 57.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.91 159.93 43.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.487 -0.758 . . . . 0.0 110.003 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.56 134.41 55.24 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.414 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -95.23 121.81 37.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.298 -0.876 . . . . 0.0 110.837 -177.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.47 123.11 49.29 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.799 ' H ' HD22 ' C' ' 56' ' ' ASN . 20.6 t -125.8 83.28 62.82 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.338 -0.851 . . . . 0.0 109.768 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.86 65.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.996 2.464 . . . . 0.0 112.068 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.485 ' N ' ' O ' ' C' ' 70' ' ' VAL . 47.3 t90 -68.9 130.18 91.78 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 120.991 -1.068 . . . . 0.0 108.786 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.462 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 59.7 Cg_exo -36.81 147.9 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.742 1.628 . . . . 0.0 111.996 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 41.1 t-20 -130.24 -60.26 1.01 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.34 -0.85 . . . . 0.0 109.39 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.65 126.36 36.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.098 -1.001 . . . . 0.0 108.963 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 13.4 p -80.65 108.73 14.53 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.13 136.15 35.2 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.494 0.664 . . . . 0.0 109.764 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.651 HG23 ' O ' ' C' ' 78' ' ' THR . 13.5 t -91.99 112.52 55.25 Favored Pre-proline 0 N--CA 1.491 1.593 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -93.16 -48.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.751 1.634 . . . . 0.0 114.896 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 -44.16 2.37 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.16 -0.962 . . . . 0.0 113.262 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.673 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.4 p90 -59.98 -51.69 68.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.379 -1.45 . . . . 0.0 111.997 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.673 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.9 t30 -79.77 -41.39 26.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.132 -1.605 . . . . 0.0 110.078 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.07 -49.63 76.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.111 -0.993 . . . . 0.0 109.863 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.01 -48.8 80.22 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 109.097 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.502 HG23 ' O ' ' C' ' 81' ' ' TRP . 69.9 p -64.7 -40.01 94.64 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.335 -0.853 . . . . 0.0 109.798 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -61.07 -40.09 92.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.242 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.06 -41.61 92.74 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.253 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.52 -40.07 95.58 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 108.912 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -59.97 -49.85 76.05 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.39 -44.3 95.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.327 -0.858 . . . . 0.0 109.26 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.252 -0.905 . . . . 0.0 110.751 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.13 -42.28 94.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.656 -1.278 . . . . 0.0 109.426 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.7 -41.27 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.086 -1.009 . . . . 0.0 108.822 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.77 -44.82 96.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.0 110.676 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.93 -41.62 97.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.828 -1.17 . . . . 0.0 109.719 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.96 -41.14 91.59 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.129 -0.982 . . . . 0.0 108.724 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.94 -48.6 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.44 -0.788 . . . . 0.0 109.136 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -44.58 94.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.502 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -60.34 -43.99 95.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 0.0 109.53 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.47 -45.28 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 109.265 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 75.1 p -60.97 -41.18 95.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.913 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.41 99.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.953 -1.092 . . . . 0.0 109.372 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.17 -41.31 86.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.304 -0.872 . . . . 0.0 109.326 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.507 HD23 HD11 ' C' ' 18' ' ' LEU . 84.9 mt -61.75 -46.59 88.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.135 -0.978 . . . . 0.0 108.698 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -47.77 84.49 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.26 -41.11 96.37 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.37 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.1 95.82 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.108 -0.995 . . . . 0.0 108.948 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.431 -0.793 . . . . 0.0 109.555 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.105 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -65.28 -40.08 93.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.06 -49.61 76.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.45 -0.781 . . . . 0.0 109.516 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.17 -40.67 98.22 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.271 -0.893 . . . . 0.0 109.267 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.88 -40.14 96.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.29 -0.881 . . . . 0.0 109.752 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.13 -40.12 82.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -40.03 77.77 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.98 -47.76 84.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.511 -0.743 . . . . 0.0 109.492 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -39.99 90.45 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -0.956 . . . . 0.0 109.486 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.02 -41.56 92.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.254 -0.904 . . . . 0.0 109.688 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.9 mt-30 -60.5 -40.74 92.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.142 -0.974 . . . . 0.0 109.621 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.0 -39.72 86.74 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.95 -49.18 78.68 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.04 57.03 0.76 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -71.59 144.89 49.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -89.38 59.95 5.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.106 -0.996 . . . . 0.0 109.335 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -65.47 -40.05 92.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.138 -0.976 . . . . 0.0 109.492 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 10.2 t -59.98 -43.0 95.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.082 -1.011 . . . . 0.0 109.38 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 63.8 tp -60.04 -42.67 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.119 -0.988 . . . . 0.0 108.854 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.04 -38.96 84.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.45 -0.781 . . . . 0.0 109.657 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.64 57.09 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.73 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -1.097 . . . . 0.0 109.506 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.99 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 108.949 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.58 -39.97 89.97 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.504 -0.747 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -59.97 -41.42 91.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.0 109.596 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.401 HE21 ' HG3' ' C' ' 14' ' ' GLN . 96.8 mt-30 -61.63 -42.47 98.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.996 -1.065 . . . . 0.0 109.348 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.06 -45.32 93.25 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.204 -0.935 . . . . 0.0 109.095 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.15 -43.77 95.49 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.333 -0.854 . . . . 0.0 109.372 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.76 -40.67 97.99 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.242 -0.912 . . . . 0.0 109.589 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 HD23 ' A' ' 104' ' ' LEU . 57.3 tp -59.97 -42.51 94.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.267 -0.896 . . . . 0.0 108.711 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.01 -48.28 82.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.36 -0.838 . . . . 0.0 109.846 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 HG11 ' B' ' 21' ' ' VAL . 70.9 t -60.29 -40.59 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.257 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG11 HG11 ' C' ' 20' ' ' VAL . 56.3 t -59.96 -48.47 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -64.68 -40.47 95.45 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' NH2' HD11 ' B' ' 103' ' ' LEU . 38.5 ttm180 -60.67 -39.98 90.39 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -42.04 93.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.014 . . . . 0.0 109.796 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.43 -41.79 94.74 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.761 -1.212 . . . . 0.0 109.081 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD23 HD13 ' B' ' 28' ' ' LEU . 34.3 tp -60.37 -40.74 91.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.685 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD13 HD23 ' C' ' 27' ' ' LEU . 97.1 mt -60.0 -40.07 87.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.454 -0.779 . . . . 0.0 109.475 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.02 -40.06 87.98 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.06 -1.025 . . . . 0.0 108.751 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.561 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.8 mt -62.25 -41.39 98.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 109.749 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.6 p -63.24 -40.08 96.43 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.037 -1.039 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.21 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 109.19 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.04 -42.87 95.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.533 -0.729 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.11 71.22 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 119.611 -1.28 . . . . 0.0 110.276 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -59.93 -50.01 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -1.216 . . . . 0.0 110.009 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -60.59 -40.0 90.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.855 . . . . 0.0 109.637 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.737 HD21 HH21 ' A' ' 41' ' ' ARG . 39.9 t30 -59.97 -40.45 89.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.095 -1.003 . . . . 0.0 109.47 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.25 -40.01 88.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.937 -1.102 . . . . 0.0 109.234 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.08 -40.22 88.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 109.75 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.5 p -60.06 -42.81 95.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.889 -1.132 . . . . 0.0 108.667 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.737 HH21 HD21 ' A' ' 37' ' ' ASN . 28.7 mtt-85 -63.3 -40.1 96.43 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -40.27 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.532 -0.73 . . . . 0.0 109.835 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 51.4 p -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.011 -1.055 . . . . 0.0 109.106 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.08 79.36 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.402 -1.436 . . . . 0.0 108.855 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.69 -42.16 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 43' ' ' THR . 21.8 pt-20 -62.37 -39.89 94.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.286 -1.509 . . . . 0.0 108.452 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.88 -42.18 93.18 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.153 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.2 m-85 -64.3 -39.39 93.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.683 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HE22 ' C' ' 52' ' ' GLN . 46.1 mt -59.8 -40.06 87.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.071 -1.018 . . . . 0.0 108.495 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.97 -1.082 . . . . 0.0 108.817 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.01 -42.2 93.8 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.208 -0.933 . . . . 0.0 109.565 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.445 HE22 ' CD2' ' B' ' 49' ' ' LEU . 31.8 mt-30 -60.64 -40.03 90.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.924 -1.11 . . . . 0.0 109.631 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -57.76 -32.95 67.97 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.106 -0.996 . . . . 0.0 108.572 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.63 -37.62 76.31 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -68.53 114.63 7.1 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.755 HD22 ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -133.98 -68.53 0.56 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.274 -0.891 . . . . 0.0 109.407 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.47 87.61 1.45 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.48 ' C ' ' H ' ' A' ' 60' ' ' ALA . 72.9 m95 -104.73 146.82 28.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.559 -0.713 . . . . 0.0 110.386 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 56.56 5.28 1.14 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.525 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -75.86 23.82 0.13 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.331 -1.1 . . . . 0.0 108.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -156.9 107.28 2.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.68 12.81 35.8 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.286 -0.883 . . . . 0.0 109.494 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 62.5 mtp180 -117.34 21.58 13.01 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.534 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.84 151.76 32.74 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.44 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.121 -0.987 . . . . 0.0 108.752 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.52 157.82 42.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.436 -0.79 . . . . 0.0 109.319 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -125.29 133.0 52.8 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.96 120.73 40.26 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 121.892 0.853 . . . . 0.0 111.229 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 69' ' ' THR . 14.7 t -114.2 123.88 50.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.755 ' H ' HD22 ' A' ' 56' ' ' ASN . 43.1 t -132.27 78.98 67.19 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.204 -0.935 . . . . 0.0 109.963 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.09 67.94 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 123.071 2.514 . . . . 0.0 112.264 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.518 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 28.6 t90 -67.1 132.42 93.64 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 120.89 -1.131 . . . . 0.0 108.333 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 92.5 Cg_exo -37.64 147.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.54 1.493 . . . . 0.0 112.047 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.3 OUTLIER -130.54 -60.03 1.0 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 127.05 35.35 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.7 t -78.29 112.6 15.45 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.221 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.59 140.24 44.24 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.816 0.817 . . . . 0.0 110.179 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 78' ' ' THR . 6.8 t -135.27 87.39 28.19 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -100.25 -43.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 123.258 2.638 . . . . 0.0 114.353 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.96 -44.87 29.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 112.99 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.543 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 6.1 p90 -90.05 -28.78 18.81 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.465 -1.397 . . . . 0.0 112.821 -177.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.543 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 31.1 t30 -77.48 -49.9 13.8 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.124 -1.61 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -60.25 -45.21 94.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.088 -1.007 . . . . 0.0 110.211 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.93 -45.37 92.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.966 -1.084 . . . . 0.0 108.637 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' TRP . 45.3 p -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -67.57 -40.0 84.88 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.243 -0.91 . . . . 0.0 109.416 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.01 -40.82 90.58 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.893 -1.129 . . . . 0.0 108.25 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.48 -42.83 99.39 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 108.237 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.586 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.2 t90 -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.443 -0.786 . . . . 0.0 109.246 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.35 -40.47 95.93 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.862 . . . . 0.0 109.546 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.88 -42.29 99.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.03 -45.06 94.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.652 -1.28 . . . . 0.0 109.271 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.69 -40.99 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.63 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.09 -46.83 88.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.693 . . . . 0.0 110.138 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -68.83 -40.03 79.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.83 -1.169 . . . . 0.0 109.084 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.91 -41.49 91.38 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.462 -0.895 . . . . 0.0 108.923 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.19 -49.49 77.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.194 -0.941 . . . . 0.0 108.714 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 101' ' ' THR . 89.0 tt0 -61.38 -40.03 92.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.581 -0.699 . . . . 0.0 109.197 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.439 ' O ' ' NH1' ' C' ' 23' ' ' ARG . 22.7 m120 -64.25 -40.34 95.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.803 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.4 -41.41 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.077 -1.015 . . . . 0.0 108.923 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 67.0 p -60.63 -40.0 90.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.78 80.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.268 -0.895 . . . . 0.0 109.233 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.475 HD11 ' NH2' ' C' ' 23' ' ' ARG . 82.0 mt -63.21 -40.09 96.5 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.949 -1.094 . . . . 0.0 108.752 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 18' ' ' LEU . 90.6 mt -65.54 -40.51 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 109.535 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.9 -50.08 75.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.088 -1.007 . . . . 0.0 108.9 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.57 94.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.321 -0.862 . . . . 0.0 109.376 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.57 98.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.832 . . . . 0.0 109.517 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.03 -49.54 77.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.205 -0.935 . . . . 0.0 109.613 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -47.53 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.246 -0.909 . . . . 0.0 109.439 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.427 ' NE2' ' OE1' ' C' ' 16' ' ' GLN . 77.9 mt-30 -68.74 -40.31 79.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.34 -50.02 75.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.091 -1.005 . . . . 0.0 109.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -64.14 -41.95 96.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.347 -0.846 . . . . 0.0 109.133 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -67.76 -39.99 84.13 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.644 -0.822 . . . . 0.0 108.949 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.99 -44.37 96.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.138 -0.976 . . . . 0.0 109.246 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.68 -40.02 80.29 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.251 -0.906 . . . . 0.0 108.93 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -60.02 -44.85 94.33 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.354 -0.841 . . . . 0.0 110.062 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.57 -40.46 94.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.975 -1.078 . . . . 0.0 109.5 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.18 -42.26 98.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.889 . . . . 0.0 109.559 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.5 mt-30 -61.65 -39.89 92.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.188 -0.945 . . . . 0.0 109.679 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -60.09 -38.55 83.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.733 . . . . 0.0 109.445 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.65 -46.73 88.13 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.99 62.25 1.51 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.435 -0.791 . . . . 0.0 109.608 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 117.986 -1.006 . . . . 0.0 109.335 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.221 0.534 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -71.57 145.17 49.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 109.533 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.9 60.3 4.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.166 -0.959 . . . . 0.0 109.328 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -65.5 -39.99 92.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.218 -0.926 . . . . 0.0 109.461 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.496 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.7 t -60.02 -42.93 95.39 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.168 -0.957 . . . . 0.0 109.488 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.496 ' N ' HG23 ' B' ' 5' ' ' THR . 64.4 tp -60.13 -42.47 94.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 108.87 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.08 -39.23 85.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 109.544 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.06 87.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.041 -1.037 . . . . 0.0 108.658 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.37 -45.83 59.0 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -48.7 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -1.078 . . . . 0.0 109.56 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.03 -41.46 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.131 -0.98 . . . . 0.0 108.898 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.64 -39.97 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.192 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.94 -41.38 91.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.51 -0.744 . . . . 0.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.77 -42.47 99.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.044 -1.035 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.05 -45.25 93.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.036 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -43.08 97.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.403 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.33 -40.37 97.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.338 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.441 HD11 HD23 ' B' ' 104' ' ' LEU . 56.9 tp -60.11 -42.62 95.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.233 -0.917 . . . . 0.0 108.724 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -60.04 -48.42 81.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 109.807 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.413 HG11 HG11 ' C' ' 21' ' ' VAL . 66.1 t -60.05 -40.47 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.986 -1.072 . . . . 0.0 109.392 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.423 HG11 HG11 ' A' ' 20' ' ' VAL . 56.2 t -60.08 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.69 -40.14 94.88 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.764 0.793 . . . . 0.0 108.976 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.471 ' NH2' HD11 ' C' ' 103' ' ' LEU . 38.6 ttm180 -60.82 -40.0 91.14 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.14 -39.97 88.19 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.333 -0.854 . . . . 0.0 108.834 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -59.96 -41.79 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.019 -1.05 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.85 -41.55 96.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.797 -1.189 . . . . 0.0 109.055 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.499 HD23 HD13 ' C' ' 28' ' ' LEU . 34.0 tp -60.26 -40.81 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.479 -0.763 . . . . 0.0 109.709 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.513 HD13 HD23 ' A' ' 27' ' ' LEU . 97.1 mt -59.97 -40.04 87.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.463 -0.773 . . . . 0.0 109.567 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.92 -40.16 87.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.073 -1.017 . . . . 0.0 108.712 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.56 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -62.38 -41.12 98.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.38 -40.24 96.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.44 -41.02 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.388 -0.82 . . . . 0.0 109.214 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -60.12 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 110.263 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.01 72.33 Favored Glycine 0 N--CA 1.489 2.187 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.3 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.01 -50.09 75.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 0.0 109.858 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.51 -39.96 89.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 0.0 109.582 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.741 HD21 HH21 ' B' ' 41' ' ' ARG . 40.1 t30 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 0.0 109.552 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.69 -39.92 90.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.008 -1.057 . . . . 0.0 109.069 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.03 -40.28 88.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 109.812 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 44.6 p -60.04 -42.72 95.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.9 -1.125 . . . . 0.0 108.842 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.741 HH21 HD21 ' B' ' 37' ' ' ASN . 29.4 mtt-85 -63.4 -40.08 96.24 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -40.25 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.634 -0.666 . . . . 0.0 109.803 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 52.0 p -60.04 -40.02 87.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.897 -1.127 . . . . 0.0 109.079 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.16 -39.92 78.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.355 -1.465 . . . . 0.0 108.796 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.69 -42.38 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.395 -0.816 . . . . 0.0 111.727 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 43' ' ' THR . 21.7 pt-20 -62.17 -39.88 94.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.322 -1.486 . . . . 0.0 108.544 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.98 -41.97 93.15 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.12 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.5 m-85 -64.19 -39.44 94.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.095 -1.003 . . . . 0.0 109.723 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.445 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.9 mt -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.074 -1.016 . . . . 0.0 108.458 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -60.25 -40.08 89.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.008 -1.057 . . . . 0.0 108.858 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.95 -42.05 93.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.212 -0.93 . . . . 0.0 109.599 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.473 HE22 ' CD2' ' C' ' 49' ' ' LEU . 31.6 mt-30 -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.923 -1.11 . . . . 0.0 109.493 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -57.47 -33.07 67.61 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.138 -0.976 . . . . 0.0 108.683 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.67 -37.63 76.43 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.56 114.55 7.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.765 HD22 ' H ' ' B' ' 70' ' ' VAL . 71.3 m-80 -133.93 -69.01 0.54 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.285 -0.884 . . . . 0.0 109.4 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 87.65 1.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.477 ' C ' ' H ' ' B' ' 60' ' ' ALA . 73.0 m95 -104.92 146.21 29.34 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.533 -0.73 . . . . 0.0 110.286 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 56.97 4.88 1.13 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.531 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.24 24.08 0.1 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.437 -1.037 . . . . 0.0 108.902 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.51 ' HB1' ' NE2' ' B' ' 64' ' ' GLN . . . -157.09 107.3 2.26 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 110.367 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.73 12.69 35.93 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.159 -0.963 . . . . 0.0 109.627 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.509 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 62.5 mtp180 -117.22 21.53 13.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.555 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.77 151.47 32.4 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.27 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 108.775 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.79 43.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.455 -0.778 . . . . 0.0 109.345 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -125.52 132.98 52.51 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 68' ' ' THR . 4.3 t -99.94 120.87 40.47 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.299 -0.875 . . . . 0.0 111.267 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.539 ' O ' HG23 ' B' ' 69' ' ' THR . 14.5 t -114.19 123.83 50.55 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.765 ' H ' HD22 ' B' ' 56' ' ' ASN . 43.7 t -132.12 78.99 67.77 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.27 -0.894 . . . . 0.0 110.031 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.15 68.03 0.22 Allowed 'Trans proline' 0 N--CA 1.499 1.794 0 C-N-CA 123.115 2.544 . . . . 0.0 112.236 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.503 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 27.9 t90 -67.08 132.59 93.67 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 120.88 -1.137 . . . . 0.0 108.404 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -37.74 147.18 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 121.536 1.491 . . . . 0.0 111.904 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.532 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -130.42 -60.07 1.01 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.93 127.08 35.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -78.38 112.72 15.69 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.334 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.58 140.21 44.23 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.916 0.865 . . . . 0.0 110.198 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.721 ' O ' HG23 ' B' ' 78' ' ' THR . 6.6 t -135.28 87.49 27.92 Favored Pre-proline 0 N--CA 1.494 1.73 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -100.14 -44.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 123.225 2.617 . . . . 0.0 114.397 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.9 -45.15 29.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.214 -0.929 . . . . 0.0 113.05 -176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.557 ' CE2' ' OG1' ' B' ' 78' ' ' THR . 5.8 p90 -89.34 -29.81 18.87 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 120.501 -1.375 . . . . 0.0 112.865 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.524 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 32.3 t30 -77.02 -49.93 14.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.152 -1.593 . . . . 0.0 110.539 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.08 -45.4 93.04 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.861 -1.149 . . . . 0.0 110.252 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -45.1 93.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.039 -1.038 . . . . 0.0 108.568 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 81' ' ' TRP . 45.7 p -70.02 -39.98 75.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.348 -0.845 . . . . 0.0 108.748 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -67.56 -39.95 84.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 0.0 109.389 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -60.03 -40.69 90.19 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.802 -1.186 . . . . 0.0 108.281 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.63 -42.86 99.48 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.561 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.7 t90 -60.0 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.174 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.31 -40.46 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.244 -0.91 . . . . 0.0 109.449 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 110.231 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.09 -45.26 93.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.623 -1.298 . . . . 0.0 109.255 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.49 -40.8 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.141 -0.974 . . . . 0.0 108.641 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -59.97 -47.38 86.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.464 -0.773 . . . . 0.0 110.171 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.59 -40.01 80.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.837 -1.165 . . . . 0.0 109.192 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.79 -41.68 91.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.26 -0.9 . . . . 0.0 108.897 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.06 -49.51 77.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.156 -0.965 . . . . 0.0 108.857 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.36 -40.01 92.73 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.517 -0.739 . . . . 0.0 109.057 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.43 -40.42 95.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.298 -0.876 . . . . 0.0 109.879 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.27 -41.42 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 0.0 108.978 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 69.2 p -60.45 -39.99 89.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 109.431 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.0 79.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.32 -0.863 . . . . 0.0 109.109 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.47 HD11 ' NH2' ' A' ' 23' ' ' ARG . 82.2 mt -63.06 -40.05 96.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.905 -1.122 . . . . 0.0 108.801 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.441 HD23 HD11 ' B' ' 18' ' ' LEU . 90.6 mt -65.64 -40.54 92.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.091 -1.006 . . . . 0.0 109.478 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.01 -49.81 76.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 108.819 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -41.1 94.99 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.307 -0.871 . . . . 0.0 109.486 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -60.08 -49.58 77.1 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.116 -0.99 . . . . 0.0 109.518 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -47.49 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.191 -0.943 . . . . 0.0 109.427 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.9 -39.99 79.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 110.12 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -60.64 -50.05 75.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.709 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -64.03 -41.58 97.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.288 -0.883 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -68.24 -39.94 82.13 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.724 -0.79 . . . . 0.0 108.975 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.95 -44.32 97.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.92 -40.0 79.3 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.276 -0.89 . . . . 0.0 108.714 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.0 -44.91 94.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.44 -0.788 . . . . 0.0 110.143 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.5 -40.58 95.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.932 -1.105 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.94 -42.69 98.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.335 -0.853 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -61.36 -40.0 92.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -60.02 -38.78 83.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.454 -0.779 . . . . 0.0 109.463 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.44 -46.47 88.66 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -129.03 62.12 1.51 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.401 -0.812 . . . . 0.0 109.58 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.857 0 O-C-N 121.066 -1.021 . . . . 0.0 109.309 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.215 0.531 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.58 144.97 49.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 0.0 109.579 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 60.2 4.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.119 -0.988 . . . . 0.0 109.331 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -65.44 -40.03 92.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 109.468 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.501 HG23 ' N ' ' C' ' 6' ' ' LEU . 10.2 t -59.96 -42.83 94.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.094 -1.003 . . . . 0.0 109.452 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.501 ' N ' HG23 ' C' ' 5' ' ' THR . 64.6 tp -60.17 -42.53 95.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 108.835 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.1 -39.25 85.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.468 -0.77 . . . . 0.0 109.579 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.63 58.78 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -48.9 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.424 -1.045 . . . . 0.0 109.49 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.93 -41.28 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 108.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.74 -39.97 90.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.785 . . . . 0.0 109.092 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.98 -41.16 91.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.473 -0.767 . . . . 0.0 109.692 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.401 ' HG3' HE21 ' A' ' 14' ' ' GLN . 96.8 mt-30 -61.81 -42.39 98.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.028 -1.045 . . . . 0.0 109.397 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.0 -45.26 93.32 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.342 -0.849 . . . . 0.0 108.999 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 27.2 mt-30 -60.48 -43.53 96.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.317 -0.865 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.88 -40.53 97.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.0 109.501 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.459 HD11 HD23 ' C' ' 104' ' ' LEU . 57.2 tp -60.02 -42.63 94.76 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.695 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.88 -48.11 83.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.856 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.419 HG11 HG11 ' A' ' 21' ' ' VAL . 65.6 t -60.48 -40.49 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 0.0 109.31 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . 0.413 HG11 HG11 ' B' ' 20' ' ' VAL . 57.5 t -60.01 -48.34 88.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.92 -40.31 94.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.475 ' NH2' HD11 ' A' ' 103' ' ' LEU . 38.6 ttm180 -60.91 -39.82 90.77 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.13 -39.95 88.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 108.892 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.05 -41.72 92.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.8 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.88 -41.28 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.743 -1.223 . . . . 0.0 109.096 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.517 HD23 HD13 ' A' ' 28' ' ' LEU . 33.9 tp -60.77 -40.71 93.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.504 -0.748 . . . . 0.0 109.668 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.499 HD13 HD23 ' B' ' 27' ' ' LEU . 96.9 mt -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.38 -0.825 . . . . 0.0 109.5 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.05 -40.13 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.03 -1.044 . . . . 0.0 108.725 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.586 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.0 mt -62.16 -41.26 98.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.944 . . . . 0.0 109.724 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.9 p -63.26 -40.06 96.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.035 -1.041 . . . . 0.0 109.641 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.334 -0.854 . . . . 0.0 109.263 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.03 -43.02 95.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.422 -0.799 . . . . 0.0 110.221 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -50.24 69.84 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.646 -1.264 . . . . 0.0 110.237 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -59.98 -49.97 75.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -1.21 . . . . 0.0 109.909 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.62 -40.05 90.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.931 . . . . 0.0 109.642 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.735 HD21 HH21 ' C' ' 41' ' ' ARG . 39.9 t30 -60.03 -40.12 88.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.54 -40.07 90.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.256 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.99 -40.27 88.56 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.304 -0.872 . . . . 0.0 109.81 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.5 p -60.06 -42.63 94.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.887 -1.133 . . . . 0.0 108.764 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.735 HH21 HD21 ' C' ' 37' ' ' ASN . 29.5 mtt-85 -63.48 -39.97 95.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.16 -40.15 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.536 -0.728 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 52.9 p -60.01 -39.98 87.65 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.002 -1.061 . . . . 0.0 109.164 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.04 78.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.291 -1.505 . . . . 0.0 108.834 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.37 -42.53 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.511 -0.743 . . . . 0.0 111.739 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.02 -39.85 93.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.325 -1.484 . . . . 0.0 108.535 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -59.99 -42.02 93.32 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.146 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 36.6 m-85 -64.21 -39.58 94.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.235 -0.915 . . . . 0.0 109.692 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.473 ' CD2' HE22 ' B' ' 52' ' ' GLN . 44.9 mt -59.63 -39.91 85.88 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.015 -1.053 . . . . 0.0 108.567 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.19 -40.01 88.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.075 -1.015 . . . . 0.0 108.783 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.03 -41.94 93.3 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.096 -1.002 . . . . 0.0 109.641 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.456 HE22 ' CD2' ' A' ' 49' ' ' LEU . 31.4 mt-30 -61.03 -39.99 91.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.989 -1.069 . . . . 0.0 109.552 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -57.51 -32.95 67.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.112 -0.992 . . . . 0.0 108.599 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.77 -37.52 76.45 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.75 114.45 7.11 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.728 HD22 ' H ' ' C' ' 70' ' ' VAL . 71.3 m-80 -133.72 -68.71 0.56 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.257 -0.902 . . . . 0.0 109.424 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.29 87.73 1.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.8 m95 -104.98 146.62 28.79 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.543 -0.723 . . . . 0.0 110.321 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 56.65 5.18 1.13 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -75.62 23.79 0.12 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.405 -1.056 . . . . 0.0 108.845 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.502 ' HB1' ' NE2' ' C' ' 64' ' ' GLN . . . -156.76 107.38 2.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.966 . . . . 0.0 110.398 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -102.67 12.81 35.82 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.263 -0.898 . . . . 0.0 109.603 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 62.7 mtp180 -117.3 21.45 13.11 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.535 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.75 151.6 32.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.8 t -108.24 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.169 -0.957 . . . . 0.0 108.672 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.36 157.96 43.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -125.78 132.8 52.22 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.86 120.63 40.08 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.84 0.829 . . . . 0.0 111.253 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.536 ' O ' HG23 ' C' ' 69' ' ' THR . 15.0 t -114.02 124.02 51.11 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.728 ' H ' HD22 ' C' ' 56' ' ' ASN . 43.9 t -132.36 78.76 67.32 Favored Pre-proline 0 N--CA 1.502 2.154 0 O-C-N 121.154 -0.967 . . . . 0.0 109.931 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.94 67.87 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.055 2.504 . . . . 0.0 112.25 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.522 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 27.8 t90 -67.01 132.54 93.79 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 94.6 Cg_exo -37.52 147.28 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.572 1.514 . . . . 0.0 111.993 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.3 OUTLIER -130.55 -60.01 1.0 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.02 127.07 35.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -78.35 112.87 15.81 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.256 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.81 140.17 43.77 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.817 0.818 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.713 HG23 ' O ' ' C' ' 78' ' ' THR . 6.7 t -135.2 87.49 28.35 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -100.15 -44.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.306 2.671 . . . . 0.0 114.273 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.81 -45.21 29.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 112.954 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.544 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 6.2 p90 -89.57 -29.0 19.19 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 120.543 -1.348 . . . . 0.0 112.954 -177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.531 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 31.5 t30 -77.4 -50.11 13.44 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.117 -1.615 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.19 -45.13 94.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -45.26 93.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.978 -1.076 . . . . 0.0 108.643 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.413 HG23 ' O ' ' C' ' 81' ' ' TRP . 46.3 p -70.04 -39.98 75.41 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -67.56 -39.95 84.94 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.362 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.07 -40.69 90.37 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.945 -1.097 . . . . 0.0 108.26 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.69 -42.71 99.3 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.073 -1.017 . . . . 0.0 108.283 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.98 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.5 -0.75 . . . . 0.0 109.254 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.54 -40.69 96.06 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.344 -0.847 . . . . 0.0 109.531 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.71 -42.16 99.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.0 110.159 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.95 -45.47 92.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.634 -1.292 . . . . 0.0 109.215 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.34 -40.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.142 -0.973 . . . . 0.0 108.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.01 -46.9 87.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.455 -0.778 . . . . 0.0 110.175 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.84 -39.98 79.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 109.134 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -41.69 89.96 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.867 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.07 -1.019 . . . . 0.0 108.756 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.32 -40.14 93.1 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.561 -0.712 . . . . 0.0 109.103 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.39 -40.09 95.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.891 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.49 -41.47 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.149 -0.97 . . . . 0.0 108.866 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 67.4 p -60.53 -39.93 89.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.26 -0.9 . . . . 0.0 109.463 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.74 80.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.841 . . . . 0.0 109.245 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.471 HD11 ' NH2' ' B' ' 23' ' ' ARG . 83.1 mt -63.24 -39.99 96.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.924 -1.11 . . . . 0.0 108.82 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.459 HD23 HD11 ' C' ' 18' ' ' LEU . 90.2 mt -65.74 -40.43 92.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 109.459 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.07 -49.93 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.113 -0.992 . . . . 0.0 108.784 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.57 -41.56 94.85 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.443 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.48 98.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 109.557 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -59.97 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.147 -0.971 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.28 -47.66 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.318 -0.864 . . . . 0.0 109.287 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.71 -40.1 80.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 110.173 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -60.45 -50.01 75.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.153 -0.967 . . . . 0.0 109.808 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -64.29 -41.94 96.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.402 -0.812 . . . . 0.0 109.145 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -67.82 -39.97 83.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.344 -0.848 . . . . 0.0 108.977 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.07 -43.71 98.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.24 -39.98 78.18 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.282 -0.886 . . . . 0.0 108.739 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.04 -44.77 94.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.451 -0.781 . . . . 0.0 110.068 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.54 -40.47 94.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.039 -1.038 . . . . 0.0 109.511 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.23 -42.38 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.7 mt-30 -61.68 -40.02 93.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 109.525 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -60.01 -38.12 81.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.97 -46.44 89.44 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -129.3 62.24 1.52 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.387 -0.82 . . . . 0.0 109.538 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.195 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -74.19 144.24 44.85 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.73 59.19 4.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.035 -1.041 . . . . 0.0 108.801 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.485 HH12 HD22 ' A' ' 122' ' ' ASN . 87.8 mtm180 -65.03 -40.04 94.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.555 -0.715 . . . . 0.0 109.128 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.8 t -60.31 -43.87 95.95 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.394 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' A' ' 5' ' ' THR . 63.7 tp -62.55 -42.21 99.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.153 -0.967 . . . . 0.0 108.831 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.2 -40.05 92.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.558 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.38 88.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 0.0 108.543 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.64 -45.46 58.91 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.02 -47.63 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.333 -1.098 . . . . 0.0 109.418 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.488 HE22 ' CG ' ' A' ' 16' ' ' GLN . 17.7 tm0? -61.37 -40.07 92.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 109.261 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -60.04 -44.22 94.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.358 -0.838 . . . . 0.0 109.949 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.43 -40.54 91.44 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.08 -43.12 95.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' CG ' HE22 ' A' ' 12' ' ' GLN . 28.7 mt-30 -61.74 -40.44 95.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.147 -0.971 . . . . 0.0 109.25 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.41 -40.39 93.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.0 109.576 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.64 -41.11 98.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 0.0 108.958 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -59.94 -49.31 78.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 109.935 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.98 -40.93 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.97 . . . . 0.0 109.836 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -43.29 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.294 -0.879 . . . . 0.0 108.932 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.14 -40.03 95.29 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.523 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 29.8 mmt180 -60.78 -40.17 91.57 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.45 -0.781 . . . . 0.0 109.403 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.03 -43.19 95.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.293 -0.88 . . . . 0.0 109.734 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.76 -39.97 79.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 109.338 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 tp -63.11 -40.26 97.1 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.402 -0.811 . . . . 0.0 109.172 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.408 -0.808 . . . . 0.0 109.563 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.21 -40.0 88.56 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.04 -1.038 . . . . 0.0 109.64 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 83.6 mt -62.12 -41.69 98.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 0.0 110.018 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.0 -39.94 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.738 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.32 -40.3 85.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.269 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -59.94 -43.1 95.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.292 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.0 93.09 Favored Glycine 0 N--CA 1.489 2.173 0 C-N-CA 119.459 -1.353 . . . . 0.0 109.795 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.01 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -1.135 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -59.89 -40.09 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.07 -1.019 . . . . 0.0 109.998 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.24 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.92 -40.09 87.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 0.0 109.025 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -59.96 -40.03 87.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.259 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.2 p -60.03 -41.2 91.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.897 -1.127 . . . . 0.0 108.4 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.586 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.3 mtt-85 -63.24 -40.07 96.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.122 -0.986 . . . . 0.0 108.573 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.95 -41.16 85.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.164 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.832 -1.168 . . . . 0.0 109.187 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.98 77.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.31 -44.02 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.526 -0.734 . . . . 0.0 111.013 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.21 -39.84 91.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.569 -1.332 . . . . 0.0 108.159 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -60.04 -43.15 95.53 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.768 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.493 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.4 m-85 -65.62 -40.03 92.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.963 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.15 -40.12 88.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 108.504 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.0 -39.71 86.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.391 -0.818 . . . . 0.0 109.173 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.695 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.883 -1.136 . . . . 0.0 108.901 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.34 78.9 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.929 -1.107 . . . . 0.0 108.431 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 0.0 108.696 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.95 117.74 11.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.102 -0.999 . . . . 0.0 108.315 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.733 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 68.7 m-80 -132.6 -62.94 0.8 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.428 -0.795 . . . . 0.0 110.647 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.18 116.92 4.08 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.737 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 92.1 m95 -103.34 131.45 50.4 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 65.57 20.78 68.3 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.93 -1.128 . . . . 0.0 110.619 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.1 22.75 0.11 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.883 -1.363 . . . . 0.0 109.043 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.91 107.44 1.28 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.171 -0.956 . . . . 0.0 109.473 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -108.8 11.96 25.91 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.181 -0.949 . . . . 0.0 110.208 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.2 mtp180 -141.9 25.27 1.96 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.078 -1.014 . . . . 0.0 109.004 177.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.28 152.71 39.61 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.39 59.11 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.219 -0.926 . . . . 0.0 109.228 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 156.22 41.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -131.25 133.26 45.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -91.86 114.55 27.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.918 -1.114 . . . . 0.0 109.252 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 69' ' ' THR . 6.6 t -112.7 119.89 39.64 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.733 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 85.6 t -122.71 86.13 49.56 Favored Pre-proline 0 N--CA 1.497 1.893 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -87.0 63.55 4.33 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.885 2.39 . . . . 0.0 111.868 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.431 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 17.2 t90 -70.03 136.78 87.15 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.402 -0.811 . . . . 0.0 109.148 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 86.9 Cg_exo -42.32 146.76 0.64 Allowed 'Trans proline' 0 N--CA 1.488 1.186 0 C-N-CA 120.974 1.116 . . . . 0.0 110.174 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.704 HD21 ' NE2' ' C' ' 52' ' ' GLN . 55.6 t30 -132.22 4.46 4.06 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.273 -0.892 . . . . 0.0 109.43 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.26 123.51 7.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -81.73 106.97 14.08 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.8 mt -79.11 136.66 37.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.478 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 78' ' ' THR . 8.8 t -90.43 111.58 48.12 Favored Pre-proline 0 N--CA 1.496 1.846 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -92.67 -49.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.089 0 C-N-CA 121.871 1.714 . . . . 0.0 114.838 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.19 -42.76 2.46 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.23 -50.07 75.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.169 -1.582 . . . . 0.0 111.811 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 57.0 t30 -72.99 -41.68 64.07 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.236 -1.54 . . . . 0.0 110.519 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.04 -50.13 74.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.078 -1.014 . . . . 0.0 110.518 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.91 -44.46 96.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.86 -1.15 . . . . 0.0 109.504 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 p -69.84 -40.05 76.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 110.142 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 30.1 t-105 -66.17 -40.04 90.19 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.898 -1.126 . . . . 0.0 109.427 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -59.98 -42.97 95.34 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 120.595 -1.316 . . . . 0.0 108.114 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.98 -41.4 91.95 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.466 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 58.4 t90 -60.06 -49.29 78.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.495 -0.753 . . . . 0.0 108.981 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.62 -40.03 95.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.168 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.13 -46.66 88.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 110.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.95 -42.43 94.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.943 -1.098 . . . . 0.0 110.059 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.24 -41.97 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.881 -1.137 . . . . 0.0 108.949 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.92 -47.1 87.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.266 -0.896 . . . . 0.0 110.318 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.23 -40.01 93.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.854 -1.153 . . . . 0.0 109.737 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.84 -41.36 87.55 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 109.016 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.53 -49.21 78.46 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 108.89 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.63 -44.1 96.74 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.284 -0.885 . . . . 0.0 109.279 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.497 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.3 t-20 -60.02 -48.39 81.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 109.417 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.93 -44.75 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.329 -0.857 . . . . 0.0 109.62 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -42.82 95.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.024 -1.047 . . . . 0.0 109.198 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.1 -47.58 85.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 0.0 108.961 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.0 -46.82 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.429 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.19 -41.2 96.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.287 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.03 -47.81 84.29 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.219 -0.926 . . . . 0.0 109.14 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.29 -40.24 93.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.21 95.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.333 -0.854 . . . . 0.0 109.53 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.97 -48.55 81.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.043 -1.035 . . . . 0.0 109.636 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.43 -46.1 93.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.228 -0.92 . . . . 0.0 109.354 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.85 -40.87 95.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.04 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 108.804 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.99 -42.53 94.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.626 -0.671 . . . . 0.0 109.514 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -61.0 -39.96 91.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.608 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -64.51 -40.24 95.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.917 -1.114 . . . . 0.0 109.257 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 115' ' ' MET . 1.4 tmt? -69.56 -39.96 77.08 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.499 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 65.1 t80 -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.437 -0.789 . . . . 0.0 109.318 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.932 . . . . 0.0 108.615 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.483 -0.76 . . . . 0.0 109.338 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.41 95.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.954 -1.092 . . . . 0.0 109.879 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.499 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.6 mmtm -60.07 -39.49 86.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.107 -0.995 . . . . 0.0 109.17 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.0 mt -59.38 -46.57 88.3 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.485 HD22 HH12 ' A' ' 4' ' ' ARG . 14.9 t-20 -125.0 60.11 1.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.636 -0.665 . . . . 0.0 109.318 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.166 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -73.94 144.29 45.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.81 59.2 4.96 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.149 -0.969 . . . . 0.0 108.67 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.48 HH12 HD22 ' B' ' 122' ' ' ASN . 87.7 mtm180 -65.23 -39.97 93.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.502 -0.749 . . . . 0.0 109.131 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.532 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.0 t -60.2 -43.95 95.53 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.303 -0.873 . . . . 0.0 109.416 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.532 ' N ' HG23 ' B' ' 5' ' ' THR . 63.6 tp -62.67 -41.97 99.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.141 -0.975 . . . . 0.0 108.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.43 -40.04 93.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.264 -0.897 . . . . 0.0 109.455 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.71 90.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.158 -0.964 . . . . 0.0 108.539 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -45.63 62.02 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.95 -47.58 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.271 -1.135 . . . . 0.0 109.312 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.1 -40.39 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . 0.479 HE22 ' CG ' ' B' ' 16' ' ' GLN . 17.8 tm0? -61.64 -39.98 93.27 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -60.05 -44.59 94.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.13 -40.52 90.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -0.921 . . . . 0.0 109.893 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.145 -0.972 . . . . 0.0 109.348 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.479 ' CG ' HE22 ' B' ' 12' ' ' GLN . 28.6 mt-30 -62.03 -40.63 96.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.3 -40.32 93.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.414 -0.804 . . . . 0.0 109.48 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.83 -40.92 98.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.223 -0.923 . . . . 0.0 109.006 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -60.02 -49.43 77.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 0.0 109.903 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.06 -40.86 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.847 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -43.22 92.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.298 -0.876 . . . . 0.0 108.986 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.16 -40.0 95.2 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.582 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 29.9 mmt180 -60.88 -40.06 91.58 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.18 -40.06 88.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.402 -0.811 . . . . 0.0 109.358 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -59.93 -43.38 94.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.717 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.56 -39.98 80.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.93 -1.106 . . . . 0.0 109.269 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.16 -40.1 96.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.215 -0.928 . . . . 0.0 109.098 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.13 -40.27 89.21 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.66 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.32 -39.97 88.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.1 mt -62.04 -41.51 98.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.153 -0.967 . . . . 0.0 110.066 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.02 -40.07 95.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.0 109.77 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.18 -40.46 85.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.277 -0.889 . . . . 0.0 109.299 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.94 -43.36 95.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.442 -0.786 . . . . 0.0 110.31 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.34 -47.0 92.99 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -49.21 78.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.185 -1.185 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.96 -40.0 87.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.118 -0.989 . . . . 0.0 110.029 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.97 -40.1 87.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.103 -0.998 . . . . 0.0 109.15 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.032 -1.043 . . . . 0.0 109.085 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.03 -39.87 87.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 0.0 109.407 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 44.4 p -60.16 -41.13 92.17 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.863 -1.148 . . . . 0.0 108.256 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.64 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.6 mtt-85 -63.24 -39.98 96.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.212 -0.93 . . . . 0.0 108.667 177.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -41.13 85.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.076 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.6 p -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.854 -1.154 . . . . 0.0 109.223 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.02 76.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.824 -1.173 . . . . 0.0 109.125 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.97 -44.19 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 111.11 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.19 -39.91 91.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.433 -1.417 . . . . 0.0 108.141 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.01 -43.19 95.4 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.194 -1.003 . . . . 0.0 108.769 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.509 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 36.0 m-85 -65.54 -39.97 92.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.937 -1.102 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.25 -40.02 88.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.79 -1.194 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 108.529 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.02 -39.65 86.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.72 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.91 -40.1 87.69 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.791 -1.193 . . . . 0.0 108.93 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.45 78.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 120.869 -1.144 . . . . 0.0 108.489 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 108.768 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.67 117.63 11.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 0.0 108.402 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.72 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 68.7 m-80 -132.55 -63.22 0.8 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.362 -0.836 . . . . 0.0 110.597 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.97 116.68 4.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.111 -0.993 . . . . 0.0 110.349 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.794 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 92.0 m95 -102.98 131.71 49.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.559 -0.713 . . . . 0.0 110.229 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.54 20.56 68.02 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.567 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.16 23.01 0.11 Allowed 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.939 -1.33 . . . . 0.0 109.136 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -162.02 107.41 1.26 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -108.5 11.83 26.55 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.133 -0.979 . . . . 0.0 110.231 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.538 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.0 mtp180 -141.95 25.57 1.93 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.098 -1.001 . . . . 0.0 109.017 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.56 152.7 39.37 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -103.4 59.42 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 109.295 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.51 156.16 40.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.45 -0.782 . . . . 0.0 109.403 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -131.43 133.44 45.21 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.519 HG23 ' O ' ' B' ' 68' ' ' THR . 6.2 t -92.09 114.75 27.38 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.9 -1.125 . . . . 0.0 109.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.513 ' O ' HG23 ' B' ' 69' ' ' THR . 6.7 t -112.93 119.9 39.55 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.72 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 87.3 t -122.91 86.06 50.49 Favored Pre-proline 0 N--CA 1.496 1.842 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.11 63.28 4.21 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.902 2.401 . . . . 0.0 111.93 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.435 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 16.7 t90 -69.7 136.78 87.94 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.186 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.435 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 86.3 Cg_exo -42.45 146.56 0.71 Allowed 'Trans proline' 0 N--CA 1.487 1.129 0 C-N-CA 120.899 1.066 . . . . 0.0 110.309 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.695 HD21 ' NE2' ' A' ' 52' ' ' GLN . 55.7 t30 -131.94 4.24 4.13 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.355 -0.841 . . . . 0.0 109.498 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.41 7.83 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.5 107.18 14.05 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -79.21 136.94 37.23 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.664 ' O ' HG23 ' B' ' 78' ' ' THR . 9.0 t -90.57 111.69 49.0 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.63 -49.52 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.163 0 C-N-CA 121.63 1.553 . . . . 0.0 114.73 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.14 -42.98 2.45 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.9 p90 -59.02 -50.03 75.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.182 -1.574 . . . . 0.0 111.729 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.1 t30 -72.87 -41.94 64.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.215 -1.553 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -50.08 75.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.993 . . . . 0.0 110.679 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.07 -44.39 96.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 47.5 p -70.08 -39.97 75.28 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.213 -0.929 . . . . 0.0 110.16 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.458 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 30.1 t-105 -66.18 -39.96 90.11 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.84 -1.162 . . . . 0.0 109.369 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.05 -42.83 95.3 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.567 -1.333 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.14 -41.55 92.95 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.458 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 59.0 t90 -60.01 -48.74 80.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.507 -0.746 . . . . 0.0 109.183 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.23 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.091 -1.006 . . . . 0.0 109.131 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.97 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.268 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -59.96 -42.27 93.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.884 -1.135 . . . . 0.0 110.002 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.08 -42.13 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.932 -1.105 . . . . 0.0 109.057 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.3 t0 -59.98 -46.86 88.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.375 -0.828 . . . . 0.0 110.497 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.55 -39.94 92.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.846 -1.159 . . . . 0.0 109.703 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.63 -41.62 88.05 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.026 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.19 -49.21 78.52 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.128 -0.983 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.86 -43.73 97.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.304 -0.872 . . . . 0.0 109.42 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.523 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.4 t-20 -60.07 -48.37 82.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.05 -44.88 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.344 -0.847 . . . . 0.0 109.603 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -59.93 -42.9 94.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.153 -0.967 . . . . 0.0 109.199 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.73 84.7 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.155 -0.965 . . . . 0.0 108.748 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.93 -46.72 88.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.425 -0.797 . . . . 0.0 109.544 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.28 -41.14 96.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.244 -0.91 . . . . 0.0 109.257 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.03 -47.83 84.24 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.274 -0.891 . . . . 0.0 109.151 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.38 -40.08 93.06 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.22 94.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.286 -0.884 . . . . 0.0 109.502 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.06 -48.73 80.52 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.12 -46.34 93.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.228 -0.92 . . . . 0.0 109.155 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.48 -40.99 96.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.94 -50.09 75.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.154 -0.967 . . . . 0.0 108.875 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.531 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -61.18 -39.99 92.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.219 -0.926 . . . . 0.0 109.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.34 -40.01 95.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.978 -1.076 . . . . 0.0 109.234 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . 0.414 ' SD ' ' C ' ' B' ' 115' ' ' MET . 1.4 tmt? -69.74 -40.05 76.4 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . 0.476 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 65.2 t80 -59.99 -47.25 86.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.452 -0.78 . . . . 0.0 109.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.99 -40.19 88.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.446 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.3 95.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.877 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . 0.476 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.7 mmtm -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.111 -0.993 . . . . 0.0 109.13 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 121' ' ' LEU . 83.5 mt -59.33 -46.81 87.58 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . 0.48 HD22 HH12 ' B' ' 4' ' ' ARG . 15.1 t-20 -124.7 59.93 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.683 -0.636 . . . . 0.0 109.537 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.468 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.244 0.545 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 88.1 mt-30 -74.11 144.32 44.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.211 -0.931 . . . . 0.0 109.239 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.8 59.16 4.94 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.037 -1.039 . . . . 0.0 108.655 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.49 HH12 HD22 ' C' ' 122' ' ' ASN . 87.8 mtm180 -65.02 -39.94 94.13 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.492 -0.755 . . . . 0.0 109.177 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.524 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.2 t -60.31 -43.96 95.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.353 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.524 ' N ' HG23 ' C' ' 5' ' ' THR . 62.8 tp -62.56 -42.1 99.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 108.697 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.3 -40.1 92.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.32 -0.862 . . . . 0.0 109.616 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.27 88.48 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.207 -0.933 . . . . 0.0 108.554 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.51 -45.37 60.06 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -47.73 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.398 -1.06 . . . . 0.0 109.365 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.96 -40.42 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.486 HE22 ' CG ' ' C' ' 16' ' ' GLN . 17.7 tm0? -61.63 -40.0 93.31 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -60.06 -44.05 94.98 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.862 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.95 -40.46 93.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -42.77 94.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.008 -1.057 . . . . 0.0 109.197 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.486 ' CG ' HE22 ' C' ' 12' ' ' GLN . 28.7 mt-30 -62.23 -40.06 94.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.73 -40.13 91.86 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.273 -0.892 . . . . 0.0 109.391 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.9 -40.78 98.62 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.0 -49.63 76.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 109.862 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.98 -40.94 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.04 -1.038 . . . . 0.0 109.79 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -43.16 91.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.13 -40.29 95.85 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.497 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 30.0 mmt180 -60.53 -40.18 90.56 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.18 -40.09 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.319 -0.863 . . . . 0.0 109.302 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -59.94 -43.25 95.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.616 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.65 -39.97 80.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.941 -1.099 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.0 -40.16 96.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 109.182 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.13 -40.09 88.57 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.553 -0.717 . . . . 0.0 109.711 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.57 -40.04 90.2 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.066 -1.021 . . . . 0.0 109.599 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.6 mt -61.93 -41.64 98.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 109.967 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.6 p -63.97 -40.0 95.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.755 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.25 -40.46 86.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 0.0 109.291 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.01 -42.83 95.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -0.84 . . . . 0.0 110.377 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.53 93.99 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.18 -49.33 78.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 0.0 109.966 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -60.02 -39.96 87.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.087 -1.008 . . . . 0.0 109.986 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.93 -40.1 87.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.922 -1.111 . . . . 0.0 109.363 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.149 -0.969 . . . . 0.0 108.994 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.98 -39.96 87.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.439 -0.788 . . . . 0.0 109.386 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.2 p -59.99 -41.06 91.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.873 -1.142 . . . . 0.0 108.431 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.59 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.4 mtt-85 -63.52 -40.02 95.95 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -40.72 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.404 -0.81 . . . . 0.0 109.147 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.6 p -60.44 -39.97 89.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.867 -1.145 . . . . 0.0 109.246 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.56 -40.05 77.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.847 -1.158 . . . . 0.0 109.041 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.41 -43.72 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.411 -0.806 . . . . 0.0 111.05 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.48 -39.92 92.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.399 -1.438 . . . . 0.0 108.105 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.98 -43.4 95.13 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.285 -0.966 . . . . 0.0 108.523 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.498 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.5 m-85 -65.33 -40.19 93.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.91 -1.119 . . . . 0.0 110.046 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.758 -1.214 . . . . 0.0 109.144 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.845 -1.159 . . . . 0.0 108.515 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 48.9 t0 -59.93 -39.72 86.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 109.127 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.704 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.98 -39.41 85.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.969 -1.082 . . . . 0.0 108.932 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.43 80.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.996 -1.065 . . . . 0.0 108.39 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.93 -40.12 87.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.0 108.74 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.65 118.02 11.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.0 108.339 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.727 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 69.1 m-80 -132.9 -63.0 0.79 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.359 -0.838 . . . . 0.0 110.466 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.794 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.05 116.88 4.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.197 -0.94 . . . . 0.0 110.3 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.798 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 92.3 m95 -103.16 131.42 50.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.481 -0.762 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.59 20.43 67.98 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.044 -1.075 . . . . 0.0 110.62 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -74.83 23.24 0.1 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.927 -1.337 . . . . 0.0 108.985 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -162.4 107.42 1.19 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -108.75 11.77 26.13 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.164 -0.96 . . . . 0.0 110.233 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 56.3 mtp180 -142.09 25.8 1.89 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.124 -0.985 . . . . 0.0 108.878 177.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.79 152.29 38.53 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.3 t -103.09 59.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.254 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.1 156.29 41.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.369 -0.832 . . . . 0.0 109.445 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -131.53 133.11 44.73 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.535 ' O ' HG23 ' C' ' 68' ' ' THR . 6.0 t -91.92 114.62 27.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.832 -1.168 . . . . 0.0 109.376 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.525 ' O ' HG23 ' C' ' 69' ' ' THR . 6.7 t -112.81 120.02 40.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.727 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 84.9 t -122.95 86.18 50.65 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -86.97 63.34 4.34 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.984 2.456 . . . . 0.0 111.88 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.442 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 16.6 t90 -69.92 136.61 87.44 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.444 -0.785 . . . . 0.0 109.172 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.442 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 87.2 Cg_exo -42.25 146.86 0.6 Allowed 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 120.909 1.073 . . . . 0.0 110.218 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.72 HD21 ' NE2' ' B' ' 52' ' ' GLN . 55.1 t30 -132.28 4.11 4.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.09 7.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.564 -0.71 . . . . 0.0 109.159 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.14 107.33 13.85 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -79.17 136.73 37.19 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' C' ' 78' ' ' THR . 8.8 t -90.41 111.78 49.2 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -92.56 -49.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.74 1.626 . . . . 0.0 114.792 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.17 -42.61 2.47 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.198 -0.939 . . . . 0.0 113.528 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.0 p90 -59.29 -49.97 75.78 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.17 -1.581 . . . . 0.0 111.757 -175.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.64 ' ND2' HH21 ' B' ' 41' ' ' ARG . 57.4 t30 -72.98 -41.76 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.109 -1.619 . . . . 0.0 110.635 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.01 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 110.441 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.23 -44.3 96.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.846 -1.158 . . . . 0.0 109.526 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -70.0 -39.97 75.55 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.025 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 30.1 t-105 -66.32 -39.96 89.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.824 -1.172 . . . . 0.0 109.351 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.05 -42.93 95.55 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.114 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -41.54 92.3 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.474 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.04 -49.42 77.72 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.4 -40.19 95.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 109.268 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -59.99 -46.36 89.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.307 -0.87 . . . . 0.0 110.375 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.02 -42.14 93.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.925 -1.11 . . . . 0.0 110.047 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.61 -41.96 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.961 -1.087 . . . . 0.0 108.933 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.0 -47.07 87.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.24 -40.05 93.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.784 -1.197 . . . . 0.0 109.853 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.51 -41.6 88.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.017 -1.052 . . . . 0.0 109.106 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -49.16 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.206 -0.934 . . . . 0.0 109.001 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.79 -44.16 97.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.303 -0.873 . . . . 0.0 109.26 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.582 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.2 t-20 -60.04 -48.15 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.295 -0.878 . . . . 0.0 109.507 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.0 -44.84 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.198 -0.939 . . . . 0.0 109.539 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -60.02 -42.51 94.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.63 85.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.106 -0.996 . . . . 0.0 108.816 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.96 -46.5 89.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.532 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.5 -41.08 96.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.225 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -47.91 83.87 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.204 -0.935 . . . . 0.0 109.199 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.29 -39.94 93.18 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.264 -0.898 . . . . 0.0 109.299 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.19 94.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.35 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -48.64 80.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.077 -1.014 . . . . 0.0 109.535 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.11 -46.32 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.133 -0.979 . . . . 0.0 109.263 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.498 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.907 . . . . 0.0 108.868 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.2 -42.62 95.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.577 -0.702 . . . . 0.0 109.408 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.6 -39.91 94.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.034 -1.041 . . . . 0.0 109.318 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . 0.424 ' SD ' ' C ' ' C' ' 115' ' ' MET . 1.4 tmt? -69.88 -40.02 75.94 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . 0.431 ' OH ' ' NZ ' ' C' ' 120' ' ' LYS . 64.8 t80 -59.96 -47.25 86.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.399 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.03 -40.16 88.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.48 -0.763 . . . . 0.0 109.473 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.2 mt-30 -60.36 -42.61 96.12 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.109 -0.995 . . . . 0.0 109.997 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . 0.431 ' NZ ' ' OH ' ' C' ' 116' ' ' TYR . 39.8 mmtm -59.94 -38.69 83.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.963 . . . . 0.0 109.381 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 121' ' ' LEU . 83.0 mt -59.96 -46.68 88.63 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . 0.49 HD22 HH12 ' C' ' 4' ' ' ARG . 15.3 t-20 -124.86 60.2 1.2 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.259 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' B' ' 2' ' ' GLN . 26.2 mm100 -69.69 143.87 53.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.565 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -90.56 61.42 4.89 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.249 -0.907 . . . . 0.0 109.196 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.35 -39.95 94.81 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.895 . . . . 0.0 109.332 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 5.4 t -60.2 -45.6 92.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.186 -0.946 . . . . 0.0 109.7 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 58.7 tp -60.17 -43.13 96.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.12 -0.988 . . . . 0.0 108.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.76 -40.0 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.498 -0.751 . . . . 0.0 109.765 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 12' ' ' GLN . . . -59.76 -43.74 94.17 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.014 -1.054 . . . . 0.0 108.402 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -63.73 -47.23 88.46 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.625 -1.79 . . . . 0.0 108.625 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.72 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.349 -1.089 . . . . 0.0 109.446 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -47.87 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.005 -1.059 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' N ' ' NE2' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -59.95 -40.0 87.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.145 -0.972 . . . . 0.0 109.692 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.48 92.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.033 . . . . 0.0 109.166 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.95 -41.17 95.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.942 -1.099 . . . . 0.0 109.142 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.08 -43.8 95.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -41.16 97.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -41.96 99.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.054 . . . . 0.0 109.327 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.0 -45.07 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.09 -47.2 86.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.06 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.42 -40.47 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.989 -1.069 . . . . 0.0 109.838 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.97 -41.54 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.17 -0.956 . . . . 0.0 108.934 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.44 -40.46 94.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.536 -0.727 . . . . 0.0 109.134 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.559 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.1 mmt180 -60.25 -40.6 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.219 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.46 -39.91 89.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.211 -0.93 . . . . 0.0 109.32 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.12 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.0 109.39 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.86 -43.84 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.23 -0.919 . . . . 0.0 109.665 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.82 -40.1 94.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.903 . . . . 0.0 109.705 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.04 -40.42 89.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.65 -40.24 91.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.9 mt -62.73 -40.54 97.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.062 -1.024 . . . . 0.0 110.041 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 p -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.928 -1.108 . . . . 0.0 109.807 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.319 -0.863 . . . . 0.0 109.102 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -60.06 -42.33 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -47.37 91.35 Favored Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.672 -1.251 . . . . 0.0 110.137 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -49.92 75.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.109 -1.23 . . . . 0.0 109.309 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 0.0 109.922 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.669 HD21 HH21 ' A' ' 41' ' ' ARG . 51.7 t-20 -59.88 -40.09 87.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.965 -1.084 . . . . 0.0 109.373 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.17 -40.14 92.76 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.03 -1.044 . . . . 0.0 109.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.92 -40.4 88.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.095 -1.003 . . . . 0.0 109.77 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.9 p -60.03 -40.17 88.44 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.669 HH21 HD21 ' A' ' 37' ' ' ASN . 27.4 mtt-85 -63.06 -40.03 96.47 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -40.88 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.247 -0.908 . . . . 0.0 108.861 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.0 p -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.5 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.12 85.22 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.422 -1.424 . . . . 0.0 108.454 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.12 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 0.0 109.689 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.04 -40.04 88.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.068 -1.02 . . . . 0.0 109.313 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.84 -39.94 95.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.384 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 44.4 m-85 -65.24 -39.19 92.38 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.04 -39.6 86.48 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.952 -1.093 . . . . 0.0 108.392 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.09 -39.92 87.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.568 -1.333 . . . . 0.0 108.291 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 54.2 t0 -60.14 -38.4 82.97 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.05 -39.89 83.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.114 -0.992 . . . . 0.0 109.187 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.02 -38.67 83.37 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 120.756 -1.215 . . . . 0.0 108.376 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.96 -40.01 87.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.802 . . . . 0.0 110.087 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.91 114.21 13.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.192 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.755 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 72.0 m-80 -133.5 -55.28 0.9 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.389 -0.82 . . . . 0.0 110.242 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.653 ' HB3' HG23 ' A' ' 68' ' ' THR . . . -155.57 115.79 3.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.066 -1.021 . . . . 0.0 110.029 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -102.1 118.87 37.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.364 -0.835 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.17 27.66 73.53 Favored Glycine 0 N--CA 1.494 2.525 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.166 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 21.99 0.1 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.545 -1.562 . . . . 0.0 109.289 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.52 114.31 1.85 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.146 -0.971 . . . . 0.0 109.474 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 34.5 m-85 -115.05 11.8 16.53 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.399 -0.813 . . . . 0.0 110.524 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 51.3 mtp180 -140.09 25.46 2.29 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.935 -1.103 . . . . 0.0 108.081 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 42.2 mt-30 -141.7 152.89 44.27 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.17 56.45 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.65 156.17 40.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.493 -0.755 . . . . 0.0 109.437 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -132.02 133.24 44.21 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -91.02 110.1 21.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.294 -179.262 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 69' ' ' THR . 9.1 t -118.43 122.79 43.63 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.755 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 85.8 t -126.56 85.7 59.88 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.528 -0.732 . . . . 0.0 109.921 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -86.95 60.82 4.08 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 C-N-CA 122.692 2.261 . . . . 0.0 111.019 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.0 t90 -69.97 135.45 87.45 Favored Pre-proline 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 109.353 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.1 Cg_exo -40.28 150.09 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.441 1.427 . . . . 0.0 110.626 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 38.5 t30 -127.31 -57.12 1.31 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.287 -0.883 . . . . 0.0 109.605 -178.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.29 126.68 35.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.027 -1.046 . . . . 0.0 108.548 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.7 p -80.93 110.75 16.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.872 -1.142 . . . . 0.0 108.043 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.4 mt -79.55 135.09 36.52 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.491 0.662 . . . . 0.0 110.243 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 78' ' ' THR . 6.4 t -93.5 113.7 60.92 Favored Pre-proline 0 N--CA 1.493 1.721 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -92.18 -48.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.744 1.629 . . . . 0.0 114.418 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.47 -43.93 2.38 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.8 p90 -60.04 -47.33 86.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.366 -1.459 . . . . 0.0 112.415 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 61.6 t30 -71.15 -45.04 64.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.012 -1.68 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.553 HD21 ' NE2' ' A' ' 87' ' ' GLN . 47.4 t30 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.051 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.12 -44.54 97.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.783 -1.198 . . . . 0.0 109.404 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.8 p -69.95 -40.07 75.68 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.853 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -69.05 -40.09 78.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.987 -1.07 . . . . 0.0 109.497 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.553 ' NE2' HD21 ' A' ' 83' ' ' ASN . 91.4 mt-30 -60.02 -41.31 91.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.687 -1.258 . . . . 0.0 108.846 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.04 -40.11 94.64 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.049 -1.032 . . . . 0.0 108.64 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.449 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.7 t90 -59.99 -50.05 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -0.785 . . . . 0.0 109.18 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -63.15 -41.76 99.34 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.15 -0.969 . . . . 0.0 109.612 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.04 -42.42 94.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.0 -42.26 93.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.836 -1.165 . . . . 0.0 108.941 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.352 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.54 -40.28 90.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.116 -0.99 . . . . 0.0 110.893 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.79 -40.05 79.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.851 -1.156 . . . . 0.0 109.755 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.38 -40.28 89.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 109.518 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.29 -44.36 95.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.964 -1.085 . . . . 0.0 109.771 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -47.4 85.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.107 -0.996 . . . . 0.0 109.417 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.519 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -59.97 -46.59 88.94 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.604 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.04 -44.69 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.259 -0.9 . . . . 0.0 109.687 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 p -60.34 -42.37 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.735 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.081 -1.012 . . . . 0.0 109.505 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.99 -45.62 92.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.434 -0.791 . . . . 0.0 109.506 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -41.59 92.39 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.164 -0.96 . . . . 0.0 109.497 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.02 -46.64 88.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.107 -0.996 . . . . 0.0 109.708 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.43 95.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.048 -1.032 . . . . 0.0 109.475 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.73 86.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.262 -0.899 . . . . 0.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.443 ' O ' ' OE1' ' A' ' 112' ' ' GLU . 94.9 mt-30 -60.79 -43.67 97.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.115 -0.991 . . . . 0.0 109.727 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.86 -39.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.926 -1.109 . . . . 0.0 109.22 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.1 tt0 -69.56 -39.98 77.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.583 -0.698 . . . . 0.0 109.936 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.99 -49.22 78.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.151 -0.968 . . . . 0.0 109.972 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.566 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.3 mp0 -60.02 -43.14 95.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.984 -1.073 . . . . 0.0 109.258 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -61.01 -41.43 96.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.058 -1.026 . . . . 0.0 110.18 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -62.37 -48.43 79.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.825 -1.172 . . . . 0.0 109.834 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.98 -39.91 95.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.094 -1.004 . . . . 0.0 109.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -60.03 -47.28 86.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.31 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.19 -40.07 96.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 109.21 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.07 -42.86 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.27 -40.03 92.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.092 -1.005 . . . . 0.0 109.666 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.49 -40.06 89.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.634 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.24 -46.92 87.19 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.77 60.54 0.9 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' GLN . 4.4 p . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.114 -0.991 . . . . 0.0 109.225 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 25.9 mm100 -70.03 143.86 52.39 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -90.47 61.52 4.98 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.282 -0.886 . . . . 0.0 109.278 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.29 -40.02 94.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 109.404 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.5 t -60.29 -45.39 93.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' B' ' 5' ' ' THR . 59.1 tp -60.35 -43.26 96.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.01 -1.056 . . . . 0.0 108.76 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.55 -39.96 89.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.499 -0.75 . . . . 0.0 109.885 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' B' ' 12' ' ' GLN . . . -59.95 -43.6 94.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.131 -0.981 . . . . 0.0 108.473 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' C' ' 110' ' ' GLN . . . -63.76 -47.36 87.14 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -49.71 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.407 -1.055 . . . . 0.0 109.43 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.95 -47.62 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.022 -1.049 . . . . 0.0 109.469 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 12' ' ' GLN . 0.2 OUTLIER -60.15 -40.07 88.57 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 109.501 179.412 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.96 -41.4 91.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.078 -1.014 . . . . 0.0 109.187 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -61.12 -41.07 96.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.23 -43.55 95.96 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 109.181 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -41.14 96.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.312 -0.867 . . . . 0.0 109.577 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.11 -42.3 99.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.969 . . . . 0.0 109.322 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.01 -44.88 94.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.277 -0.89 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.03 -47.25 86.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.03 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.43 -40.56 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.98 -41.2 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.115 -0.99 . . . . 0.0 109.103 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.72 -40.19 94.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.439 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.4 mmt180 -60.64 -40.54 92.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 109.064 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.51 -39.99 89.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 109.239 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -60.04 -49.12 78.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.43 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.28 -43.55 98.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.06 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 109.693 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.95 -40.53 89.32 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.388 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.65 -40.3 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.109 -0.994 . . . . 0.0 110.038 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.7 mt -62.62 -40.5 97.18 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.145 -0.972 . . . . 0.0 110.047 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.6 p -63.04 -40.0 96.42 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.957 -1.089 . . . . 0.0 109.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.16 -40.05 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -0.905 . . . . 0.0 109.009 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -60.07 -42.28 94.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.44 -0.787 . . . . 0.0 110.214 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.31 91.61 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.141 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -49.82 76.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.057 -1.261 . . . . 0.0 109.434 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.04 -39.96 87.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.0 109.877 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.653 HD21 HH21 ' B' ' 41' ' ' ARG . 51.6 t-20 -60.02 -39.99 87.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.035 -1.041 . . . . 0.0 109.426 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.15 -40.2 92.95 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.088 -1.007 . . . . 0.0 109.857 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.95 -40.26 88.41 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.031 -1.043 . . . . 0.0 109.724 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -59.98 -40.6 89.68 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.653 HH21 HD21 ' B' ' 37' ' ' ASN . 27.5 mtt-85 -62.86 -39.91 95.84 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.83 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.18 -0.95 . . . . 0.0 108.914 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -59.94 -40.05 87.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.032 -1.043 . . . . 0.0 108.461 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.17 84.5 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.433 -1.417 . . . . 0.0 108.445 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.17 -39.92 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.507 -0.745 . . . . 0.0 109.591 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.14 -40.02 88.36 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.084 -1.01 . . . . 0.0 109.336 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.78 -40.03 95.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.827 -1.171 . . . . 0.0 109.435 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 44.8 m-85 -65.1 -39.14 92.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.052 -1.03 . . . . 0.0 109.792 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.97 -1.081 . . . . 0.0 108.386 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.582 -1.324 . . . . 0.0 108.362 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.02 -38.72 83.49 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.643 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.78 -39.98 82.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.071 -1.018 . . . . 0.0 109.122 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.643 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.97 -38.65 83.16 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 120.735 -1.228 . . . . 0.0 108.359 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.367 -0.833 . . . . 0.0 110.025 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt -74.92 113.84 12.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.251 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.759 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 72.5 m-80 -133.23 -55.36 0.91 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.454 -0.779 . . . . 0.0 110.26 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.635 ' HB3' HG23 ' B' ' 68' ' ' THR . . . -155.48 115.68 3.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.095 -1.003 . . . . 0.0 109.988 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -101.99 118.94 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.424 -0.797 . . . . 0.0 110.376 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.08 27.64 73.52 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.107 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 22.19 0.1 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.448 -1.619 . . . . 0.0 109.311 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -161.68 114.18 1.8 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.286 -0.884 . . . . 0.0 109.498 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.505 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 34.7 m-85 -114.98 11.74 16.58 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 110.568 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 52.2 mtp180 -140.13 25.44 2.28 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 42.0 mt-30 -141.59 152.84 44.39 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.26 56.54 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.5 156.03 40.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.532 -0.73 . . . . 0.0 109.528 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -131.75 133.3 44.64 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.635 HG23 ' HB3' ' B' ' 57' ' ' ALA . 0.0 OUTLIER -91.21 109.96 21.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.63 -1.294 . . . . 0.0 109.331 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.526 ' O ' HG23 ' B' ' 69' ' ' THR . 8.9 t -118.45 122.68 43.35 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.759 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 87.1 t -126.33 85.82 59.32 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.618 -0.676 . . . . 0.0 109.869 -178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.89 60.74 4.12 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 122.677 2.252 . . . . 0.0 110.944 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -69.98 135.54 87.43 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 121.642 -0.661 . . . . 0.0 109.25 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.7 Cg_exo -40.37 150.17 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.412 1.408 . . . . 0.0 110.506 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 38.9 t30 -127.31 -57.37 1.3 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.241 -0.912 . . . . 0.0 109.49 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.02 126.84 35.6 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.134 -0.979 . . . . 0.0 108.536 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -81.0 110.78 16.87 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.92 -1.112 . . . . 0.0 108.038 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.64 134.95 36.45 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.616 0.722 . . . . 0.0 110.272 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.568 ' O ' HG23 ' B' ' 78' ' ' THR . 6.6 t -93.43 113.66 60.77 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -92.17 -48.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.849 1.7 . . . . 0.0 114.379 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -121.56 -43.98 2.37 Favored 'General case' 0 N--CA 1.508 2.443 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -59.96 -47.48 85.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.345 -1.472 . . . . 0.0 112.322 -175.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 61.5 t30 -71.16 -45.02 64.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.013 -1.68 . . . . 0.0 109.991 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.554 HD21 ' NE2' ' B' ' 87' ' ' GLN . 47.4 t30 -59.97 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.849 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.32 -44.28 97.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.829 -1.169 . . . . 0.0 109.571 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.7 p -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.074 -1.016 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -69.3 -39.97 77.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.04 -1.037 . . . . 0.0 109.483 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . 0.554 ' NE2' HD21 ' B' ' 83' ' ' ASN . 91.4 mt-30 -60.0 -41.48 92.18 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 120.801 -1.187 . . . . 0.0 108.854 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.0 -40.12 94.57 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.117 -0.989 . . . . 0.0 108.621 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.0 t90 -59.95 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.521 -0.737 . . . . 0.0 109.18 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -63.24 -41.84 99.14 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.334 -0.853 . . . . 0.0 109.522 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -60.08 -42.25 94.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 110.47 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.1 -42.17 94.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.702 -1.248 . . . . 0.0 108.974 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.89 -40.53 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.228 -0.92 . . . . 0.0 109.343 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.84 -40.02 91.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.132 -0.98 . . . . 0.0 110.836 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -69.0 -40.02 78.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.818 -1.176 . . . . 0.0 109.673 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.5 -40.37 89.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.119 -0.988 . . . . 0.0 109.571 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -44.27 96.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 109.832 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.48 85.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.559 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.6 t-20 -59.96 -46.53 89.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.324 -0.86 . . . . 0.0 109.667 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.04 -44.58 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.263 -0.898 . . . . 0.0 109.716 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 37.7 p -60.54 -42.5 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.983 -1.073 . . . . 0.0 109.734 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.08 78.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 109.45 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.97 -45.59 92.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 109.728 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.08 -41.65 92.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.36 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.01 -46.84 88.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.612 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.41 -40.76 96.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.983 -1.073 . . . . 0.0 109.486 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.25 87.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.234 -0.916 . . . . 0.0 109.586 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 112' ' ' GLU . 95.1 mt-30 -60.45 -43.61 96.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 109.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.0 -39.96 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.865 -1.147 . . . . 0.0 109.212 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.0 tt0 -69.53 -39.99 77.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.528 -0.732 . . . . 0.0 109.96 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -60.03 -49.12 78.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 0.0 109.93 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 3.3 mp0 -60.07 -43.0 95.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 109.262 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -61.12 -41.46 96.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.099 -1.0 . . . . 0.0 110.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -62.46 -48.38 79.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.822 -1.174 . . . . 0.0 109.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 109.131 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -60.1 -47.16 87.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.383 -0.823 . . . . 0.0 109.303 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.12 -40.26 97.08 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.148 -0.97 . . . . 0.0 109.246 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.1 -42.84 95.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.364 -0.835 . . . . 0.0 109.887 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -61.36 -39.98 92.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.966 -1.084 . . . . 0.0 109.645 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.32 -39.99 88.99 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.434 -0.791 . . . . 0.0 109.692 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.56 -46.86 87.67 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.82 60.73 0.9 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 119' ' ' GLN . 4.3 p . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.088 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 26.1 mm100 -69.95 143.92 52.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.281 -0.887 . . . . 0.0 109.641 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -90.47 61.38 4.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.303 -0.873 . . . . 0.0 109.208 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.46 -40.03 95.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 109.417 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' C' ' 6' ' ' LEU . 5.7 t -60.19 -45.45 93.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.117 -0.989 . . . . 0.0 109.732 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' C' ' 5' ' ' THR . 58.7 tp -60.12 -43.34 95.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.905 -1.122 . . . . 0.0 108.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.68 -39.84 89.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 0.0 109.772 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . 0.412 ' O ' ' CD ' ' C' ' 12' ' ' GLN . . . -59.95 -43.84 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.064 -1.023 . . . . 0.0 108.471 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -63.58 -47.24 88.77 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.571 -1.811 . . . . 0.0 108.571 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.68 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.301 -1.117 . . . . 0.0 109.432 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.04 -47.92 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.965 -1.084 . . . . 0.0 109.364 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.506 ' NE2' ' N ' ' C' ' 12' ' ' GLN . 0.2 OUTLIER -59.92 -40.09 87.69 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.108 -0.995 . . . . 0.0 109.586 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.16 91.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.122 -0.986 . . . . 0.0 109.228 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -61.21 -41.14 96.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.074 -1.016 . . . . 0.0 109.157 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -43.85 95.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.356 -0.84 . . . . 0.0 109.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -40.85 96.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.29 -0.881 . . . . 0.0 109.543 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.26 -42.43 99.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.13 -0.981 . . . . 0.0 109.284 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.98 -44.93 94.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 108.774 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.02 -47.11 87.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.257 -0.902 . . . . 0.0 110.047 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.49 -40.57 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.939 -1.101 . . . . 0.0 109.838 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.98 -41.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.074 -1.016 . . . . 0.0 108.939 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.58 -40.12 93.62 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.518 -0.739 . . . . 0.0 109.213 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.519 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.61 -40.5 92.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.135 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.59 -40.05 90.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.181 -0.949 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -59.9 -49.1 79.01 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 109.503 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.47 -43.38 98.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 109.567 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.21 -40.09 94.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.354 -0.841 . . . . 0.0 109.664 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.93 -40.45 88.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.68 -40.41 92.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.298 -0.876 . . . . 0.0 110.093 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.449 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -62.64 -40.41 96.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.146 -0.971 . . . . 0.0 110.05 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 63.3 p -63.07 -40.0 96.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.989 -1.07 . . . . 0.0 109.699 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 108.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -59.91 -42.46 93.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.368 -0.832 . . . . 0.0 110.372 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.1 92.69 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.513 -1.327 . . . . 0.0 110.135 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.05 -49.89 75.86 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.961 -1.317 . . . . 0.0 109.443 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.98 -39.95 87.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 109.849 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.656 HD21 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -60.07 -39.95 87.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.082 -1.012 . . . . 0.0 109.308 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.99 -40.12 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.062 -1.024 . . . . 0.0 109.929 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.035 -1.041 . . . . 0.0 109.741 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 70.6 p -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.656 HH21 HD21 ' C' ' 37' ' ' ASN . 27.2 mtt-85 -63.16 -39.95 96.14 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -40.75 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.235 -0.915 . . . . 0.0 108.738 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.8 p -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.475 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -45.12 85.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 108.451 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.21 -40.05 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.11 -39.91 87.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.109 -0.994 . . . . 0.0 109.416 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.93 -40.03 95.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.877 -1.14 . . . . 0.0 109.436 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 44.2 m-85 -64.89 -39.29 93.29 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 109.852 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.97 -39.76 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 108.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.464 -1.397 . . . . 0.0 108.318 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' C' ' 51' ' ' ASP . 55.3 t0 -60.04 -38.33 82.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.0 108.614 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.632 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.16 -39.96 84.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.108 -0.995 . . . . 0.0 109.146 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.632 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.98 -38.7 83.34 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.79 -1.194 . . . . 0.0 108.333 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -60.01 -39.95 87.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.801 . . . . 0.0 110.041 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.83 113.99 12.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.908 -1.12 . . . . 0.0 109.162 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.755 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 72.3 m-80 -133.33 -55.45 0.91 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.459 -0.775 . . . . 0.0 110.182 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.646 ' HB3' HG23 ' C' ' 68' ' ' THR . . . -155.57 115.6 3.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.164 -0.96 . . . . 0.0 110.113 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -101.87 118.79 37.64 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.366 -0.834 . . . . 0.0 110.424 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.38 27.21 73.5 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.191 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.35 22.29 0.09 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.518 -1.578 . . . . 0.0 109.374 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -161.78 114.19 1.78 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.182 -0.949 . . . . 0.0 109.576 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 34.8 m-85 -115.02 12.03 16.61 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.402 -0.811 . . . . 0.0 110.54 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 51.3 mtp180 -140.25 25.3 2.27 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.505 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 42.3 mt-30 -141.61 152.86 44.38 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.21 56.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.047 . . . . 0.0 108.199 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.42 156.14 40.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.597 -0.69 . . . . 0.0 109.481 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -131.86 133.26 44.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.646 HG23 ' HB3' ' C' ' 57' ' ' ALA . 0.0 OUTLIER -91.09 110.0 21.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.643 -1.285 . . . . 0.0 109.309 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.514 ' O ' HG23 ' C' ' 69' ' ' THR . 8.8 t -118.37 122.72 43.54 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.755 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 85.0 t -126.47 85.8 59.55 Favored Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.554 -0.716 . . . . 0.0 109.83 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -86.85 60.7 4.15 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 C-N-CA 122.703 2.269 . . . . 0.0 111.099 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' C' ' 73' ' ' PRO . 16.1 t90 -69.85 135.25 87.74 Favored Pre-proline 0 C--N 1.302 -1.461 0 O-C-N 121.591 -0.693 . . . . 0.0 109.352 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' C' ' 72' ' ' TRP . 99.9 Cg_exo -40.13 150.26 0.11 Allowed 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.388 1.392 . . . . 0.0 110.628 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 38.8 t30 -127.45 -57.4 1.29 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.329 -0.857 . . . . 0.0 109.58 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.04 126.74 35.56 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -81.08 110.83 16.97 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.865 -1.147 . . . . 0.0 107.971 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt -79.8 134.99 36.38 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.581 0.705 . . . . 0.0 110.212 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.546 HG23 ' O ' ' C' ' 78' ' ' THR . 6.4 t -93.47 113.47 60.28 Favored Pre-proline 0 N--CA 1.494 1.746 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -91.98 -48.17 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.705 1.603 . . . . 0.0 114.403 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -121.57 -43.91 2.37 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.172 -0.955 . . . . 0.0 113.52 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.359 -1.463 . . . . 0.0 112.39 -175.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.0 t30 -71.18 -44.98 64.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.067 -1.646 . . . . 0.0 109.986 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . 0.571 HD21 ' NE2' ' C' ' 87' ' ' GLN . 46.9 t30 -60.03 -50.02 75.37 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.182 -0.949 . . . . 0.0 109.916 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.07 -44.31 97.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.837 -1.165 . . . . 0.0 109.523 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 81' ' ' TRP . 74.5 p -70.03 -39.96 75.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -69.34 -40.06 77.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.993 -1.067 . . . . 0.0 109.514 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . 0.571 ' NE2' HD21 ' C' ' 83' ' ' ASN . 91.6 mt-30 -60.0 -41.25 91.69 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.832 -1.168 . . . . 0.0 108.843 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.18 -40.03 94.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.038 -1.039 . . . . 0.0 108.716 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.9 t90 -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.47 -0.769 . . . . 0.0 109.123 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -63.33 -41.5 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.63 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.17 -42.42 94.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.105 -0.997 . . . . 0.0 110.403 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -59.91 -42.37 93.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.783 -1.198 . . . . 0.0 109.082 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.72 -40.92 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.335 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.55 -40.14 90.5 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.084 -1.01 . . . . 0.0 110.813 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -68.89 -39.92 79.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.941 -1.099 . . . . 0.0 109.684 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.12 -0.988 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.19 -44.0 96.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.962 -1.086 . . . . 0.0 109.75 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.24 -47.54 85.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.149 -0.969 . . . . 0.0 109.428 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.439 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.7 t-20 -60.01 -46.44 89.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.29 -0.881 . . . . 0.0 109.63 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.01 -44.71 95.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.181 -0.949 . . . . 0.0 109.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 37.4 p -60.55 -42.41 96.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.988 -1.07 . . . . 0.0 109.677 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -49.01 79.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.128 -0.982 . . . . 0.0 109.463 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.303 -0.873 . . . . 0.0 109.542 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.99 -41.65 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -0.924 . . . . 0.0 109.496 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.06 -46.7 88.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.151 -0.968 . . . . 0.0 109.684 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.44 -40.58 96.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.934 -1.104 . . . . 0.0 109.598 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.9 86.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' C' ' 112' ' ' GLU . 94.8 mt-30 -60.73 -43.46 97.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.096 -1.002 . . . . 0.0 109.732 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -70.0 -40.08 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.906 -1.121 . . . . 0.0 109.208 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' B' ' 9' ' ' GLY . 63.1 tt0 -69.59 -39.99 76.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.39 -0.819 . . . . 0.0 109.91 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.98 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 0.0 109.829 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 3.3 mp0 -59.95 -43.31 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.253 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.84 -41.72 96.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.158 -0.964 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -62.18 -48.42 80.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.921 -1.112 . . . . 0.0 109.931 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.7 ttp -63.77 -40.05 95.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.1 -1.0 . . . . 0.0 109.204 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.99 -47.27 86.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.803 . . . . 0.0 109.395 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.07 -39.99 96.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.138 -0.976 . . . . 0.0 109.213 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.34 -42.87 96.59 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 109.813 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.3 mt-30 -61.24 -40.27 93.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.026 -1.046 . . . . 0.0 109.624 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.05 -39.98 87.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.44 -0.787 . . . . 0.0 109.774 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.51 -46.95 87.36 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -120.7 60.51 0.9 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.571 -0.706 . . . . 0.0 109.134 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.414 ' N ' ' O ' ' C' ' 119' ' ' GLN . 4.5 p . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.272 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.3 mt-30 -69.99 144.3 52.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.088 -1.008 . . . . 0.0 109.327 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.75 57.73 4.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 108.874 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.39 -39.99 92.89 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.477 -0.764 . . . . 0.0 109.042 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.55 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.6 t -60.1 -45.4 93.09 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.329 -0.857 . . . . 0.0 109.557 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.55 ' N ' HG23 ' A' ' 5' ' ' THR . 62.7 tp -60.34 -44.39 95.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.084 -1.01 . . . . 0.0 108.697 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.3 -40.11 89.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.412 -0.805 . . . . 0.0 109.718 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.69 56.43 Favored Glycine 0 N--CA 1.487 2.062 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.83 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -1.149 . . . . 0.0 109.604 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.45 89.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.814 -1.179 . . . . 0.0 108.697 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.476 ' CG ' HE22 ' B' ' 110' ' ' GLN . 71.1 tp60 -60.7 -40.88 93.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.453 -0.779 . . . . 0.0 109.325 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.467 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.8 tp-100 -60.26 -42.16 94.74 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.98 -40.95 90.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.044 -1.035 . . . . 0.0 109.364 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.57 -42.49 96.74 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.5 mt-30 -62.55 -41.77 99.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.79 -42.11 98.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 0.0 109.149 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 104' ' ' LEU . 44.0 tp -59.92 -43.87 94.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.31 -0.869 . . . . 0.0 109.022 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 55.3 t0 -60.0 -45.45 92.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.817 . . . . 0.0 109.842 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.07 -39.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.762 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.096 -1.003 . . . . 0.0 108.538 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 63.6 tttm -60.33 -40.72 91.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.645 -0.659 . . . . 0.0 109.703 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.711 ' HE ' ' ND2' ' B' ' 99' ' ' ASN . 10.2 mpt_? -60.01 -41.24 91.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.24 -0.912 . . . . 0.0 109.492 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.92 -39.93 87.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.887 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.97 -49.41 77.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.0 109.826 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 10.5 mp0 -63.49 -40.42 97.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.67 -1.269 . . . . 0.0 109.66 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 HD13 ' B' ' 28' ' ' LEU . 27.5 tp -60.98 -41.65 96.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 109.682 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.12 -39.98 88.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.11 -40.55 90.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.121 -0.987 . . . . 0.0 109.642 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 98.0 mt -62.03 -40.42 95.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.037 -1.039 . . . . 0.0 109.535 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -63.55 -40.06 96.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.715 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.96 -39.98 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 109.232 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.0 -47.67 84.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.342 -0.849 . . . . 0.0 109.977 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.83 73.67 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.06 75.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.055 -1.262 . . . . 0.0 109.898 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.63 -40.04 90.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 0.0 109.683 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.703 HD21 HH21 ' A' ' 41' ' ' ARG . 40.6 t30 -60.06 -41.04 91.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.215 -0.928 . . . . 0.0 110.105 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.92 -40.11 94.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.064 -1.023 . . . . 0.0 110.008 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.78 95.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.2 p -61.86 -40.06 94.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 108.618 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.703 HH21 HD21 ' A' ' 37' ' ' ASN . 44.9 mtt-85 -67.78 -39.92 84.03 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.46 -40.85 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.52 -0.737 . . . . 0.0 109.16 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 40' ' ' THR . 41.7 p -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 109.237 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.99 93.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 108.53 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.18 -39.93 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -39.91 87.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.77 -41.89 98.29 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.841 -1.162 . . . . 0.0 108.564 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 44.9 m-85 -64.82 -40.05 94.58 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.506 -0.747 . . . . 0.0 109.533 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.581 -1.325 . . . . 0.0 109.267 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.02 -40.2 88.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.499 -1.376 . . . . 0.0 108.014 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.32 -39.73 91.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.466 -0.771 . . . . 0.0 109.068 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.55 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -57.08 -40.01 76.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.011 -1.056 . . . . 0.0 108.349 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.73 77.83 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.23 -0.919 . . . . 0.0 108.654 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.97 -39.9 87.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.8 mt -71.31 116.45 11.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.922 -1.111 . . . . 0.0 108.761 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.528 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 33.2 m120 -133.42 -58.99 0.88 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.716 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.704 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.12 116.54 4.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.052 -1.03 . . . . 0.0 110.478 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.646 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 78.2 m95 -100.37 122.05 42.51 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.413 -0.805 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.08 26.77 72.49 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.971 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.48 23.38 0.16 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.581 -1.541 . . . . 0.0 109.594 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.78 105.92 1.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.817 -1.177 . . . . 0.0 110.677 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -104.57 11.83 33.8 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.187 -0.945 . . . . 0.0 109.372 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.479 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 60.0 mtp180 -131.78 23.63 4.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.568 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.92 152.69 35.42 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 t -102.72 57.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.15 -0.969 . . . . 0.0 108.854 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.18 158.28 42.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.391 -0.818 . . . . 0.0 109.849 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -126.14 133.3 51.64 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 68' ' ' THR . 7.4 t -90.46 115.47 27.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.585 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 69' ' ' THR . 8.9 t -114.22 121.62 44.28 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 98.6 t -121.99 83.97 44.57 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.584 -0.698 . . . . 0.0 109.205 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.44 62.95 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.616 2.211 . . . . 0.0 111.572 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 26.1 t90 -70.0 130.64 89.68 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.522 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.506 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 82.8 Cg_exo -41.65 148.41 0.32 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.25 1.3 . . . . 0.0 110.518 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.55 ' ND2' ' NE2' ' A' ' 52' ' ' GLN . 20.7 t-20 -130.95 -45.51 1.03 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.221 -0.925 . . . . 0.0 109.356 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.5 123.42 34.17 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.5 t -81.72 106.56 13.76 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.9 mt -81.2 134.75 35.67 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.751 0.786 . . . . 0.0 109.995 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 78' ' ' THR . 6.4 t -91.81 115.16 64.05 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -90.17 -48.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.368 1.379 . . . . 0.0 113.687 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -122.63 -43.71 2.26 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.65 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.94 -49.87 75.97 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.247 -1.533 . . . . 0.0 112.478 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.65 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 58.4 t30 -70.07 -42.56 72.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 119.901 -1.749 . . . . 0.0 109.405 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.04 -50.68 72.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 0.0 110.627 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.07 -43.0 99.78 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.3 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 81' ' ' TRP . 68.1 p -69.56 -40.06 77.03 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -67.86 -39.99 83.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.972 -1.08 . . . . 0.0 109.776 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.92 -40.88 90.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.919 -1.113 . . . . 0.0 109.057 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.29 -40.88 95.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.006 -1.059 . . . . 0.0 108.794 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.95 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.144 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.54 -39.91 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.342 -0.849 . . . . 0.0 109.616 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -63.72 -40.49 96.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.097 -1.002 . . . . 0.0 109.78 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -59.97 -43.3 95.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.99 -40.0 85.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.256 -0.903 . . . . 0.0 109.384 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.92 -40.73 94.29 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.935 . . . . 0.0 110.863 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -68.15 -39.99 82.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.802 -1.186 . . . . 0.0 109.207 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.91 -42.69 97.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.179 -0.95 . . . . 0.0 109.534 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -44.95 94.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.935 -1.103 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.62 -41.58 99.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 0.0 109.379 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.721 ' ND2' ' HE ' ' C' ' 23' ' ' ARG . 55.9 t-20 -63.56 -45.59 89.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.071 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.37 -46.22 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.389 -0.819 . . . . 0.0 109.464 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -60.06 -41.96 93.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.257 -0.902 . . . . 0.0 109.615 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.88 84.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.91 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.01 -45.25 93.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.848 . . . . 0.0 109.203 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.449 HD23 HD11 ' A' ' 18' ' ' LEU . 87.9 mt -60.56 -43.57 97.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.235 -0.916 . . . . 0.0 109.511 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.94 -45.24 93.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 108.984 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -40.61 97.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.458 -0.776 . . . . 0.0 109.753 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.87 95.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.342 -0.849 . . . . 0.0 109.224 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.14 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 109.476 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.478 ' CG2' ' NZ ' ' A' ' 113' ' ' LYS . 97.9 mt -69.79 -42.87 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.208 -0.933 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 57.0 tt0 -68.42 -39.97 81.39 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.136 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -60.04 -47.16 87.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.807 . . . . 0.0 109.359 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.18 -41.34 98.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.083 -1.01 . . . . 0.0 109.362 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.478 ' NZ ' ' CG2' ' A' ' 109' ' ' ILE . 56.0 mttp -62.48 -42.96 99.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.083 -1.011 . . . . 0.0 109.839 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.34 -45.42 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.898 -1.126 . . . . 0.0 109.615 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.99 -40.04 79.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 0.0 109.005 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.02 -46.25 90.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.335 -0.853 . . . . 0.0 108.91 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.2 -40.01 88.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.233 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.16 -42.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.98 -40.01 91.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.865 . . . . 0.0 109.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.17 -39.97 88.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 109.523 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.93 -48.55 81.22 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -116.1 58.3 0.75 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.556 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.1 mt-30 -70.02 144.14 52.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.933 . . . . 0.0 109.341 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.64 57.81 4.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 108.944 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -65.36 -39.99 93.03 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.027 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.06 -45.38 93.07 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.348 -0.845 . . . . 0.0 109.511 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' B' ' 5' ' ' THR . 63.3 tp -60.31 -44.6 95.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.106 -0.997 . . . . 0.0 108.645 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.28 -39.96 88.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.429 -0.794 . . . . 0.0 109.777 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.06 87.7 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.114 -0.991 . . . . 0.0 108.413 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.58 56.74 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -49.01 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.206 -1.173 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.49 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.909 -1.12 . . . . 0.0 108.76 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . 0.42 ' CG ' HE22 ' C' ' 110' ' ' GLN . 71.0 tp60 -60.58 -40.93 93.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.344 -0.848 . . . . 0.0 109.263 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.8 tp-100 -60.09 -42.09 93.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 109.952 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -40.94 91.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.976 -1.078 . . . . 0.0 109.466 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.301 -0.874 . . . . 0.0 109.24 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.5 mt-30 -62.27 -41.89 98.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.187 -0.945 . . . . 0.0 109.51 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.86 -42.04 98.57 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.179 -0.95 . . . . 0.0 109.194 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.444 HD11 HD23 ' B' ' 104' ' ' LEU . 43.4 tp -59.93 -43.67 94.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.302 -0.874 . . . . 0.0 109.04 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.503 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.98 -45.7 91.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.0 109.946 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.95 -39.96 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.168 -0.958 . . . . 0.0 109.71 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.49 83.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.047 -1.033 . . . . 0.0 108.542 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 63.9 tttm -60.34 -40.77 91.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.589 -0.694 . . . . 0.0 109.79 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.713 ' HE ' ' ND2' ' C' ' 99' ' ' ASN . 10.2 mpt_? -59.99 -41.14 91.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.516 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.138 -0.977 . . . . 0.0 109.0 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -49.29 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.803 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 10.5 mp0 -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.696 -1.252 . . . . 0.0 109.682 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.09 -41.69 97.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.653 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.412 HD13 HD23 ' A' ' 27' ' ' LEU . 26.1 mt -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.311 -0.868 . . . . 0.0 109.479 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -40.67 90.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.179 -0.951 . . . . 0.0 109.67 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.8 mt -61.93 -40.65 96.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.051 -1.03 . . . . 0.0 109.584 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.3 p -63.5 -39.98 95.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.655 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.98 -40.03 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.38 -0.825 . . . . 0.0 109.279 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -59.99 -47.41 85.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.438 -0.788 . . . . 0.0 110.111 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.64 -48.72 75.06 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.004 -1.291 . . . . 0.0 109.831 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -60.76 -40.0 90.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.116 -0.99 . . . . 0.0 109.661 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.739 HD21 HH21 ' B' ' 41' ' ' ARG . 40.9 t30 -59.95 -41.3 91.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.123 -0.986 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.82 -40.11 94.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.032 -1.043 . . . . 0.0 109.977 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.87 95.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 109.195 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.8 p -61.88 -39.97 93.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.115 -0.99 . . . . 0.0 108.717 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.739 HH21 HD21 ' B' ' 37' ' ' ASN . 44.6 mtt-85 -67.69 -40.06 84.38 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.52 -40.69 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.433 -0.792 . . . . 0.0 109.184 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 42.4 p -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.043 . . . . 0.0 109.301 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.0 93.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 108.569 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.2 -39.91 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -40.11 87.95 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.436 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.832 -1.168 . . . . 0.0 108.645 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.1 m-85 -64.67 -40.01 94.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.457 -0.777 . . . . 0.0 109.536 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.639 -1.288 . . . . 0.0 109.205 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.483 -1.386 . . . . 0.0 108.132 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -61.3 -39.98 92.47 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.537 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -56.95 -40.0 75.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 108.406 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.68 77.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 108.651 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.02 -39.98 87.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.412 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.29 116.56 11.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.908 -1.12 . . . . 0.0 108.692 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 33.2 m120 -133.34 -59.25 0.87 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.32 -0.862 . . . . 0.0 110.746 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.646 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.86 116.31 4.38 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.077 -1.014 . . . . 0.0 110.356 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.716 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 78.2 m95 -100.2 122.35 42.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.492 -0.755 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 65.86 26.69 72.27 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.079 -1.058 . . . . 0.0 111.047 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.465 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -76.75 23.69 0.16 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.666 -1.491 . . . . 0.0 109.574 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.13 105.04 1.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.82 -1.175 . . . . 0.0 110.676 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -103.67 11.69 35.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.472 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 60.3 mtp180 -131.48 23.57 4.75 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.565 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.7 152.83 35.98 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.359 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -102.72 57.76 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.101 -0.999 . . . . 0.0 108.779 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.19 158.4 42.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.802 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.25 133.14 51.55 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 68' ' ' THR . 7.0 t -90.48 115.32 27.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.764 -1.21 . . . . 0.0 109.62 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.549 ' O ' HG23 ' B' ' 69' ' ' THR . 9.0 t -113.97 121.73 44.78 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.472 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 97.9 t -122.21 84.08 46.01 Favored Pre-proline 0 N--CA 1.494 1.737 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -84.92 63.31 6.28 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 122.622 2.215 . . . . 0.0 111.527 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 25.9 t90 -70.0 130.48 89.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.405 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.501 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.6 Cg_exo -41.55 148.37 0.3 Allowed 'Trans proline' 0 N--CA 1.487 1.116 0 C-N-CA 121.27 1.313 . . . . 0.0 110.506 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.6 t-20 -130.83 -45.54 1.05 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.286 -0.884 . . . . 0.0 109.397 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.44 123.24 33.99 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -81.71 107.0 14.09 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.69 134.82 35.51 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.752 0.787 . . . . 0.0 110.0 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.58 ' O ' HG23 ' B' ' 78' ' ' THR . 6.7 t -91.69 115.04 63.78 Favored Pre-proline 0 C--N 1.3 -1.583 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -89.93 -48.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.387 1.391 . . . . 0.0 113.795 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.65 -43.72 2.26 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.9 p90 -59.99 -49.83 76.15 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 112.604 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.7 t30 -69.97 -42.44 73.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 119.951 -1.718 . . . . 0.0 109.35 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.99 -50.9 71.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 0.0 110.685 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.75 -43.07 99.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.87 -1.143 . . . . 0.0 109.341 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.431 HG23 ' O ' ' B' ' 81' ' ' TRP . 72.4 p -69.77 -40.06 76.3 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.347 -0.846 . . . . 0.0 109.596 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -67.68 -39.95 84.45 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.09 -40.81 90.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.892 -1.13 . . . . 0.0 109.077 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.47 -40.68 95.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.018 -1.051 . . . . 0.0 108.702 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.516 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.322 -0.861 . . . . 0.0 109.115 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.214 -0.929 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.4 -40.6 97.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.87 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -60.04 -43.07 95.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.393 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.97 -40.05 85.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.349 -0.844 . . . . 0.0 109.384 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -61.04 -40.62 94.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.178 -0.951 . . . . 0.0 110.796 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.746 -1.221 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.77 -42.85 97.7 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.127 -0.983 . . . . 0.0 109.467 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -44.77 94.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.988 -1.07 . . . . 0.0 109.688 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.71 -41.05 98.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.142 -0.974 . . . . 0.0 109.343 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.711 ' ND2' ' HE ' ' A' ' 23' ' ' ARG . 56.0 t-20 -64.14 -45.56 88.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.161 -0.962 . . . . 0.0 109.042 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.19 -46.35 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.449 -0.782 . . . . 0.0 109.514 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -60.06 -41.83 93.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -0.937 . . . . 0.0 109.496 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.319 -0.863 . . . . 0.0 108.908 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.96 -45.48 92.54 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.321 -0.862 . . . . 0.0 109.051 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.444 HD23 HD11 ' B' ' 18' ' ' LEU . 87.6 mt -60.34 -43.64 96.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.0 -45.12 93.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 109.015 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.82 -40.56 97.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.41 -0.806 . . . . 0.0 109.802 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.85 95.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.306 -0.871 . . . . 0.0 109.23 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -60.95 -43.11 99.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.484 ' CG2' ' NZ ' ' B' ' 113' ' ' LYS . 97.4 mt -69.75 -42.74 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.27 -0.893 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.476 HE22 ' CG ' ' A' ' 12' ' ' GLN . 56.7 tt0 -68.67 -39.95 80.39 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.403 -0.81 . . . . 0.0 109.065 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.01 -46.41 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.409 -0.807 . . . . 0.0 109.396 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.21 -40.78 98.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.161 -0.962 . . . . 0.0 109.324 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . 0.484 ' NZ ' ' CG2' ' B' ' 109' ' ' ILE . 55.6 mttp -62.8 -43.33 99.09 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.846 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.74 -45.83 92.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.84 -39.94 79.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.025 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.0 -45.72 91.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.343 -0.848 . . . . 0.0 108.91 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.72 -40.06 90.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.929 . . . . 0.0 109.215 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.01 -42.42 94.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.94 -40.01 91.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.16 -40.01 88.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 109.479 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.93 -48.38 81.94 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -116.18 58.32 0.75 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.4 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.5 t . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.659 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.2 mt-30 -70.34 144.33 51.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.282 -0.886 . . . . 0.0 109.368 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -88.62 57.94 4.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.05 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.61 -39.96 92.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.477 -0.764 . . . . 0.0 109.126 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.2 t -60.16 -45.49 92.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.298 -0.876 . . . . 0.0 109.452 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' C' ' 5' ' ' THR . 63.1 tp -60.03 -44.78 94.4 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.078 -1.014 . . . . 0.0 108.706 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.2 -39.99 88.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.366 -0.834 . . . . 0.0 109.835 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.02 87.8 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 108.304 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.88 -45.63 56.66 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 108.832 -1.707 . . . . 0.0 108.832 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.74 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.258 -1.143 . . . . 0.0 109.664 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.57 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.99 -1.069 . . . . 0.0 108.777 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.421 ' CG ' HE22 ' A' ' 110' ' ' GLN . 70.9 tp60 -60.64 -40.79 93.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.476 -0.765 . . . . 0.0 109.376 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.8 tp-100 -60.22 -41.91 94.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.275 -0.891 . . . . 0.0 109.928 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.39 -40.83 92.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.044 -1.035 . . . . 0.0 109.373 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.47 -42.89 97.13 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.213 -0.929 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.5 mt-30 -62.12 -42.24 99.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 109.512 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -42.23 98.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.32 -0.862 . . . . 0.0 109.169 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.425 HD11 HD23 ' C' ' 104' ' ' LEU . 42.1 tp -59.99 -43.65 95.02 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.4 -0.813 . . . . 0.0 108.942 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . 0.492 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.8 t0 -60.05 -45.64 92.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.392 -0.817 . . . . 0.0 109.896 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.96 -40.07 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.085 -1.01 . . . . 0.0 109.682 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.99 -40.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.065 -1.022 . . . . 0.0 108.566 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.464 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 63.7 tttm -60.46 -40.71 92.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.576 -0.703 . . . . 0.0 109.692 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.721 ' HE ' ' ND2' ' A' ' 99' ' ' ASN . 10.2 mpt_? -59.96 -41.16 91.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.218 -0.926 . . . . 0.0 109.503 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.135 -0.978 . . . . 0.0 108.948 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.06 -49.31 78.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 10.3 mp0 -63.52 -40.16 96.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.684 -1.26 . . . . 0.0 109.703 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.1 -41.76 97.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.0 109.646 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.96 -40.0 87.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 109.505 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.14 -40.49 90.01 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.147 -0.971 . . . . 0.0 109.672 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 98.1 mt -62.22 -40.25 95.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.046 -1.034 . . . . 0.0 109.586 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -63.8 -40.04 95.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.79 -40.05 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.21 -0.931 . . . . 0.0 109.279 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.96 -47.51 85.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 0.0 110.044 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.57 -48.83 73.88 Favored Glycine 0 N--CA 1.486 2.016 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.95 75.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.036 -1.273 . . . . 0.0 109.837 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.82 -40.05 91.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.091 -1.006 . . . . 0.0 109.64 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.73 HD21 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.01 -41.24 91.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.197 -0.939 . . . . 0.0 109.991 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -40.24 94.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.998 -1.064 . . . . 0.0 110.027 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -59.98 -42.5 94.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.087 -1.008 . . . . 0.0 109.279 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' C' ' 43' ' ' THR . 64.8 p -62.25 -39.97 94.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.111 -0.993 . . . . 0.0 108.651 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.73 HH21 HD21 ' C' ' 37' ' ' ASN . 44.6 mtt-85 -67.66 -39.99 84.5 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.28 -40.97 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.373 -0.829 . . . . 0.0 109.18 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' C' ' 40' ' ' THR . 43.5 p -60.01 -39.94 87.52 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.079 -1.013 . . . . 0.0 109.238 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.99 93.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.935 -1.103 . . . . 0.0 108.447 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.21 -39.91 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.179 -0.951 . . . . 0.0 109.454 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.55 -41.89 98.03 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.922 -1.111 . . . . 0.0 108.648 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -65.03 -39.99 94.18 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.519 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.557 -1.339 . . . . 0.0 109.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.01 -40.09 88.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.527 -1.358 . . . . 0.0 108.064 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -61.34 -39.9 92.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.508 -0.745 . . . . 0.0 109.159 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.536 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -57.05 -40.1 76.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.901 -1.124 . . . . 0.0 108.364 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.64 77.6 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.312 -0.868 . . . . 0.0 108.699 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.05 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.26 116.5 11.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.986 -1.071 . . . . 0.0 108.677 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 33.4 m120 -133.54 -58.86 0.87 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.315 -0.866 . . . . 0.0 110.684 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.716 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.95 116.33 4.36 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.155 -0.966 . . . . 0.0 110.403 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.704 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 78.0 m95 -100.27 121.78 42.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.445 -0.785 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 66.32 26.84 72.71 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.981 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.66 23.66 0.16 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.66 -1.494 . . . . 0.0 109.653 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.01 105.85 1.57 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.794 -1.191 . . . . 0.0 110.621 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -104.41 11.69 34.28 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.154 -0.966 . . . . 0.0 109.444 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.481 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 60.0 mtp180 -131.5 23.68 4.75 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.579 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.97 152.7 35.38 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.433 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.79 58.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.027 -1.046 . . . . 0.0 108.835 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.31 158.4 42.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.461 -0.774 . . . . 0.0 109.8 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.1 133.11 51.75 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.527 ' O ' HG23 ' C' ' 68' ' ' THR . 7.1 t -90.35 115.16 27.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.834 -1.166 . . . . 0.0 109.6 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.554 ' O ' HG23 ' C' ' 69' ' ' THR . 9.0 t -114.2 121.63 44.31 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.485 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 98.2 t -122.04 84.15 45.0 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.68 63.05 6.45 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.629 2.219 . . . . 0.0 111.507 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.2 t90 -70.04 130.48 89.76 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.433 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.503 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.9 Cg_exo -41.35 148.33 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.265 1.31 . . . . 0.0 110.489 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 20.3 t-20 -130.92 -45.31 1.04 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.229 -0.919 . . . . 0.0 109.368 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 123.39 34.18 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 38.5 t -81.6 106.5 13.6 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.31 134.9 35.65 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.767 0.794 . . . . 0.0 109.895 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.583 HG23 ' O ' ' C' ' 78' ' ' THR . 6.8 t -91.84 115.32 64.36 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -90.23 -48.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.358 1.372 . . . . 0.0 113.805 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.55 -43.73 2.27 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.93 -49.78 76.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.388 -1.445 . . . . 0.0 112.552 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 57.7 t30 -70.08 -42.64 72.51 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 119.888 -1.757 . . . . 0.0 109.384 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -60.11 -50.53 73.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.334 -0.854 . . . . 0.0 110.639 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.87 -43.24 99.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.181 . . . . 0.0 109.342 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.427 HG23 ' O ' ' C' ' 81' ' ' TRP . 68.6 p -69.66 -39.99 76.72 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 109.464 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -67.82 -40.02 83.84 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.944 -1.097 . . . . 0.0 109.727 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -59.96 -41.02 91.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.798 -1.189 . . . . 0.0 109.088 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.14 -40.96 95.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.036 -1.04 . . . . 0.0 108.782 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.5 t90 -59.95 -50.0 75.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.373 -0.829 . . . . 0.0 109.122 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -40.1 95.01 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.548 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.37 -40.54 97.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.912 . . . . 0.0 109.911 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -59.96 -43.44 95.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.971 -1.081 . . . . 0.0 109.299 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -40.0 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.81 -40.58 93.25 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.0 110.826 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.57 -39.97 80.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.698 -1.251 . . . . 0.0 109.279 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.72 -42.67 97.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.215 -0.928 . . . . 0.0 109.501 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.17 -45.09 94.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.606 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.46 -41.49 98.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.16 -0.962 . . . . 0.0 109.37 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.713 ' ND2' ' HE ' ' B' ' 23' ' ' ARG . 55.6 t-20 -63.7 -45.6 89.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.164 -0.96 . . . . 0.0 109.075 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -46.34 94.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.455 -0.778 . . . . 0.0 109.528 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 35.9 p -60.04 -41.89 93.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.525 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.05 83.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.863 . . . . 0.0 108.961 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.01 -45.42 92.82 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 109.087 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.425 HD23 HD11 ' C' ' 18' ' ' LEU . 87.6 mt -60.42 -43.5 96.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 109.572 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.05 -45.15 93.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.194 -0.941 . . . . 0.0 108.896 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.71 -40.4 97.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.462 -0.774 . . . . 0.0 109.762 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.7 94.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.264 -0.897 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.12 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.274 -0.891 . . . . 0.0 109.461 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . 0.496 HG22 ' HZ2' ' C' ' 113' ' ' LYS . 97.4 mt -69.8 -43.12 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.253 -0.904 . . . . 0.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 56.9 tt0 -68.22 -40.1 82.18 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.446 -0.784 . . . . 0.0 109.056 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -59.91 -47.08 87.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -0.828 . . . . 0.0 109.351 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.38 -41.52 98.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.04 -1.037 . . . . 0.0 109.392 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . 0.496 ' HZ2' HG22 ' C' ' 109' ' ' ILE . 55.4 mttp -62.13 -43.35 99.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.0 109.913 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.81 -45.83 92.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.876 -1.14 . . . . 0.0 109.615 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.8 -39.94 79.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.014 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.03 -45.95 91.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 108.892 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.52 -40.03 89.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.287 -0.883 . . . . 0.0 109.153 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.05 -42.6 94.83 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.76 -40.06 91.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 109.411 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.02 -39.96 87.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -0.808 . . . . 0.0 109.714 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.87 -48.33 82.14 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -116.34 58.24 0.75 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.608 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.8 mt-30 -70.1 144.29 52.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.0 109.572 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.52 59.37 5.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.007 . . . . 0.0 109.135 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.82 -39.95 91.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.043 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.432 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.08 -41.75 93.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.168 -0.957 . . . . 0.0 109.469 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.98 -45.55 92.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.124 -0.985 . . . . 0.0 108.357 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.5 mt -60.06 -39.46 86.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.685 -0.634 . . . . 0.0 109.379 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.58 88.32 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.79 -45.9 71.64 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.53 -46.31 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.372 -1.075 . . . . 0.0 109.904 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -42.43 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.997 -1.065 . . . . 0.0 108.882 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.47 -39.87 94.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 109.569 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -59.95 -43.07 95.22 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.855 . . . . 0.0 109.306 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -61.61 -40.83 96.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.998 -1.064 . . . . 0.0 109.461 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.01 -42.54 94.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.385 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.76 -40.58 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.881 . . . . 0.0 109.704 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.26 -40.66 98.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.158 -0.963 . . . . 0.0 109.196 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.18 -43.26 96.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.254 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -60.02 -47.46 85.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.262 -0.899 . . . . 0.0 109.932 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.01 -40.09 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 0.0 109.212 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.99 -41.71 87.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.78 -40.01 94.56 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 31.8 mmt180 -60.19 -40.63 90.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.178 -0.951 . . . . 0.0 109.149 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' NE2' HG21 ' A' ' 100' ' ' ILE . 5.7 tp-100 -60.05 -48.7 80.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.26 -42.02 99.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.928 -1.107 . . . . 0.0 109.453 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.64 -40.78 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.116 -0.99 . . . . 0.0 109.125 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.0 -40.15 88.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.307 -0.87 . . . . 0.0 109.549 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 29' ' ' ARG . 43.2 mtt-85 -60.96 -40.26 92.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.118 -0.989 . . . . 0.0 109.599 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.8 mt -63.22 -39.97 96.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.0 109.425 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.3 p -65.95 -39.96 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.6 t -60.79 -41.02 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.333 -0.854 . . . . 0.0 109.118 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.92 -41.58 92.05 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.351 -0.843 . . . . 0.0 109.766 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.0 -45.85 93.28 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -59.97 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.321 . . . . 0.0 108.864 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -61.88 -40.01 93.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.118 -0.989 . . . . 0.0 109.269 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.01 -40.57 89.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.51 -40.01 89.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.128 -0.983 . . . . 0.0 108.876 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.98 -40.68 89.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.207 -0.933 . . . . 0.0 109.535 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 p -60.51 -42.63 96.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.062 -1.024 . . . . 0.0 109.47 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.562 HH22 ' CG ' ' B' ' 82' ' ' ASN . 39.6 mtt-85 -64.09 -39.97 95.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -61.96 -42.96 96.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.77 -0.581 . . . . 0.0 109.604 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 p -60.06 -40.27 88.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.0 109.781 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.7 94.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.07 -1.019 . . . . 0.0 108.3 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -60.07 -39.31 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.704 -0.622 . . . . 0.0 109.538 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.5 -40.06 85.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.114 -0.991 . . . . 0.0 109.079 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -64.73 -40.67 95.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.783 -1.198 . . . . 0.0 109.122 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -70.0 -38.53 76.0 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.208 -0.932 . . . . 0.0 109.168 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.908 -1.12 . . . . 0.0 109.138 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -60.09 -40.12 88.48 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.838 -1.164 . . . . 0.0 108.325 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.05 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.444 -0.785 . . . . 0.0 109.809 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.709 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -59.13 -39.79 83.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.661 -1.274 . . . . 0.0 108.807 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.39 -39.34 83.07 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.0 -39.4 85.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 0.0 108.917 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.72 117.11 9.19 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 29.9 m120 -132.8 -64.16 0.76 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.446 -0.784 . . . . 0.0 110.312 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.788 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.56 117.05 3.98 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.124 -0.985 . . . . 0.0 109.838 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.798 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 90.0 m95 -99.61 128.74 45.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.326 -0.859 . . . . 0.0 110.095 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.39 20.47 65.53 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.491 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.45 23.6 0.11 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.617 -1.52 . . . . 0.0 109.011 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.69 106.77 2.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.658 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -120.0 11.68 11.79 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 23.6 ttt180 -138.27 22.13 2.77 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.562 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.23 152.09 35.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.987 -1.071 . . . . 0.0 108.445 178.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -100.87 58.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.48 157.54 43.14 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.582 -0.699 . . . . 0.0 109.391 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -129.06 132.46 47.45 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -90.81 113.09 25.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.823 -1.173 . . . . 0.0 109.683 -179.068 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 69' ' ' THR . 9.9 t -113.51 122.44 47.28 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 79.8 t -129.49 83.0 66.29 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.467 -0.77 . . . . 0.0 109.946 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.38 62.6 5.76 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 122.71 2.273 . . . . 0.0 111.165 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.3 t90 -68.81 132.16 90.82 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 76.9 Cg_exo -38.27 149.76 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.652 1.568 . . . . 0.0 111.184 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.701 HD21 ' NE2' ' C' ' 52' ' ' GLN . 43.5 t-20 -129.05 -57.13 1.17 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.346 -0.846 . . . . 0.0 109.148 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 124.04 34.7 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.37 107.93 15.41 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.81 136.26 34.7 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.533 0.682 . . . . 0.0 110.325 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.439 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -95.51 110.36 50.51 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.773 -0.579 . . . . 0.0 109.734 179.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -93.66 -47.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.493 1.462 . . . . 0.0 113.542 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -121.71 -47.73 2.19 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.429 -0.794 . . . . 0.0 112.667 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.711 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.4 p90 -60.06 -58.16 9.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.455 -1.403 . . . . 0.0 112.558 -176.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.8 OUTLIER -79.69 -39.86 30.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.225 -1.547 . . . . 0.0 109.644 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.94 -48.69 80.67 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.186 -0.947 . . . . 0.0 109.819 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.87 -44.67 96.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.035 -1.041 . . . . 0.0 109.745 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 81' ' ' TRP . 46.8 p -61.91 -40.01 93.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.087 -1.008 . . . . 0.0 109.721 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.05 -40.0 91.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.071 . . . . 0.0 109.53 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.902 -1.124 . . . . 0.0 108.666 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' HG2' ' HZ2' ' A' ' 92' ' ' LYS . 87.2 tt0 -60.11 -41.77 93.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.219 -0.925 . . . . 0.0 108.652 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.2 t90 -59.93 -49.8 76.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.607 -0.683 . . . . 0.0 109.445 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.0 95.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.16 -0.963 . . . . 0.0 109.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.07 -41.85 93.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.191 -0.943 . . . . 0.0 110.605 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.485 ' HZ2' ' HG2' ' A' ' 88' ' ' GLU . 53.3 mttp -60.08 -42.14 93.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.941 -1.099 . . . . 0.0 109.52 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.15 -40.41 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.159 -0.963 . . . . 0.0 108.713 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.98 -49.45 77.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.456 -0.777 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -59.95 -46.71 88.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.957 -1.089 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -40.06 87.86 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.113 -0.992 . . . . 0.0 109.128 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.11 -47.62 85.15 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.305 -0.872 . . . . 0.0 109.439 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.01 -45.72 91.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.745 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.498 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.8 t-20 -60.05 -43.4 95.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.415 HG21 ' NE2' ' A' ' 25' ' ' GLN . 92.3 mt -60.13 -46.01 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.05 -1.031 . . . . 0.0 109.543 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.4 p -62.52 -41.1 98.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.08 -1.013 . . . . 0.0 109.699 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.78 76.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.185 -0.947 . . . . 0.0 109.783 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.99 -42.62 98.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.204 -0.935 . . . . 0.0 109.753 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.97 -44.46 94.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 0.0 109.049 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.0 -47.72 84.66 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.114 -0.991 . . . . 0.0 108.762 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.47 -40.17 96.4 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.424 -0.798 . . . . 0.0 109.519 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.36 96.42 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.088 -1.008 . . . . 0.0 109.208 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -59.97 -49.0 79.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.2 -0.937 . . . . 0.0 109.621 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.97 -49.63 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.368 -0.832 . . . . 0.0 109.207 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.67 -40.07 94.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.02 -46.19 90.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 0.0 109.661 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.19 -40.91 94.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -61.87 -40.59 95.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.0 110.0 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.03 -43.37 98.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.011 -1.055 . . . . 0.0 109.414 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.72 -39.99 88.22 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.0 108.674 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.98 -49.65 76.85 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.62 -0.675 . . . . 0.0 109.533 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.2 -39.94 88.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.028 . . . . 0.0 109.478 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.45 -41.15 93.49 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.369 -0.832 . . . . 0.0 109.785 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 123' ' ' SER . 28.6 mt-30 -62.34 -41.37 98.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.104 -0.997 . . . . 0.0 109.933 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.51 -38.38 84.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.7 61.78 1.4 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.492 -0.755 . . . . 0.0 109.39 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.851 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 96.8 mt-30 -70.14 144.33 52.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -88.62 59.56 5.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.065 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.8 -40.01 91.48 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.469 -0.769 . . . . 0.0 109.138 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.433 ' H ' HG22 ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.02 -42.02 93.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.277 -0.89 . . . . 0.0 109.506 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.0 -45.21 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.15 -0.969 . . . . 0.0 108.462 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.0 -39.9 87.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.693 -0.629 . . . . 0.0 109.399 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.72 87.81 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.68 -45.92 72.39 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.6 -46.4 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -1.057 . . . . 0.0 109.886 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -42.41 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.076 -1.015 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.55 -39.77 94.71 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.457 -0.777 . . . . 0.0 109.555 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -59.97 -42.94 95.22 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.851 . . . . 0.0 109.316 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.78 -40.73 96.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.999 -1.063 . . . . 0.0 109.445 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.06 -42.46 94.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.211 -0.93 . . . . 0.0 109.416 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.93 -40.4 96.37 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.314 -0.866 . . . . 0.0 109.634 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.34 -40.77 98.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.153 -0.967 . . . . 0.0 109.187 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.03 -43.44 95.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.33 -0.856 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -60.03 -47.35 86.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.295 -0.878 . . . . 0.0 109.879 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 84.9 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.049 -1.032 . . . . 0.0 109.296 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -41.96 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.53 -40.1 94.99 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.487 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 31.9 mmt180 -60.17 -40.66 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.106 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.244 -0.91 . . . . 0.0 109.205 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.412 ' NE2' HG21 ' B' ' 100' ' ' ILE . 5.7 tp-100 -59.98 -48.19 82.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 109.671 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.88 -41.55 97.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.071 -1.018 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.07 -40.45 95.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.161 -0.962 . . . . 0.0 109.225 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.07 -40.51 89.74 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.333 -0.854 . . . . 0.0 109.461 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' B' ' 29' ' ' ARG . 43.0 mtt-85 -60.56 -40.73 92.69 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.109 -0.994 . . . . 0.0 109.571 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.77 -40.22 96.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.163 -0.961 . . . . 0.0 109.422 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -65.88 -39.99 91.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.962 . . . . 0.0 109.55 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -60.67 -41.12 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.235 -0.916 . . . . 0.0 109.099 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.274 -0.891 . . . . 0.0 109.813 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.3 -45.76 93.8 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -60.02 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.318 . . . . 0.0 108.842 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 109.23 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -40.96 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 0.0 110.158 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.07 -40.04 88.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.142 -0.974 . . . . 0.0 108.94 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.01 -40.64 89.98 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.582 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 50.7 p -60.46 -42.6 96.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.053 -1.029 . . . . 0.0 109.514 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.535 HH22 ' CG ' ' C' ' 82' ' ' ASN . 40.3 mtt-85 -64.31 -40.04 95.13 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 64.6 t -61.55 -43.47 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 23.6 p -59.97 -40.09 87.88 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.066 -1.021 . . . . 0.0 109.76 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.52 94.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.985 -1.072 . . . . 0.0 108.402 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.13 -39.29 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.701 -0.624 . . . . 0.0 109.527 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -39.95 86.74 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.139 -0.976 . . . . 0.0 109.111 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.39 -41.08 96.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.717 -1.24 . . . . 0.0 109.028 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 62.1 m-85 -70.02 -38.37 75.88 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.18 -0.95 . . . . 0.0 109.201 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.01 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.742 -1.224 . . . . 0.0 109.066 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.1 -40.06 88.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.812 -1.18 . . . . 0.0 108.268 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.02 -40.01 87.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.477 -0.764 . . . . 0.0 109.808 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.704 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.11 -40.04 84.14 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.566 -1.334 . . . . 0.0 108.79 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.43 81.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.809 -1.182 . . . . 0.0 107.811 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -39.43 85.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 108.885 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.71 117.16 9.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.977 -1.077 . . . . 0.0 108.216 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 30.4 m120 -132.74 -63.96 0.76 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.387 -0.821 . . . . 0.0 110.37 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.82 116.97 3.88 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.099 -1.001 . . . . 0.0 109.815 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.826 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.6 m95 -99.55 128.61 45.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.292 -0.88 . . . . 0.0 110.152 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 64.47 20.55 65.78 Favored Glycine 0 N--CA 1.491 2.333 0 C-N-CA 119.969 -1.11 . . . . 0.0 110.51 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.49 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.47 23.7 0.11 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.645 -1.503 . . . . 0.0 108.987 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.9 106.67 2.26 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 109.577 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -119.91 11.54 11.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' B' ' 63' ' ' ARG . 24.0 ttt180 -138.05 22.37 2.82 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.57 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.67 152.11 34.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.935 -1.103 . . . . 0.0 108.332 178.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.89 58.15 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.059 -1.026 . . . . 0.0 108.251 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.67 157.43 42.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.43 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -128.84 132.53 47.79 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.63 113.08 25.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.784 -1.198 . . . . 0.0 109.616 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.514 ' O ' HG23 ' B' ' 69' ' ' THR . 9.8 t -113.65 122.39 47.02 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.526 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 78.8 t -129.6 83.11 65.66 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.5 -0.75 . . . . 0.0 109.903 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -85.44 62.63 5.71 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.787 2.325 . . . . 0.0 111.061 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -68.77 132.22 90.85 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.56 -0.713 . . . . 0.0 109.121 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' B' ' 72' ' ' TRP . 78.5 Cg_exo -38.26 149.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 C-N-CA 121.634 1.556 . . . . 0.0 111.248 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.709 HD21 ' NE2' ' A' ' 52' ' ' GLN . 43.2 t-20 -129.26 -56.99 1.16 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.389 -0.819 . . . . 0.0 109.216 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.76 124.13 34.88 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.4 t -82.34 107.68 15.2 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.9 mt -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.583 0.706 . . . . 0.0 110.286 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -95.3 110.25 49.5 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.768 -0.582 . . . . 0.0 109.733 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -93.69 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.16 0 C-N-CA 121.492 1.461 . . . . 0.0 113.504 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -121.69 -47.71 2.19 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.412 -0.805 . . . . 0.0 112.607 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.713 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.1 p90 -60.12 -58.04 10.24 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.493 -1.379 . . . . 0.0 112.599 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.713 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.8 OUTLIER -79.79 -39.96 29.7 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.155 -1.59 . . . . 0.0 109.655 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.0 -48.73 80.5 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.693 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.65 -44.82 95.97 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.93 -1.106 . . . . 0.0 109.7 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.463 HG23 ' O ' ' B' ' 81' ' ' TRP . 48.1 p -61.89 -40.03 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.06 -1.025 . . . . 0.0 109.755 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -61.19 -40.0 92.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.965 -1.085 . . . . 0.0 109.523 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.06 -41.14 91.69 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.945 -1.097 . . . . 0.0 108.699 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.442 ' HG2' ' HZ2' ' B' ' 92' ' ' LYS . 87.3 tt0 -60.21 -41.57 93.32 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.501 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 68.7 t90 -60.02 -49.7 76.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.511 -0.743 . . . . 0.0 109.328 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.02 -43.03 95.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.178 -0.951 . . . . 0.0 109.825 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -41.77 92.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.193 -0.942 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.442 ' HZ2' ' HG2' ' B' ' 88' ' ' GLU . 53.1 mttp -60.08 -42.3 94.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.921 -1.112 . . . . 0.0 109.479 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.94 -40.54 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.098 -1.001 . . . . 0.0 108.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -60.05 -49.31 78.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.476 -0.765 . . . . 0.0 109.908 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -60.09 -46.37 89.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.97 -1.081 . . . . 0.0 109.817 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.05 -40.06 87.05 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.081 -1.012 . . . . 0.0 109.157 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.19 -47.25 86.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.452 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.24 -45.71 92.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 109.683 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.458 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.7 t-20 -60.0 -43.83 94.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.412 HG21 ' NE2' ' B' ' 25' ' ' GLN . 92.5 mt -60.0 -45.94 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.062 -1.024 . . . . 0.0 109.635 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 47.8 p -62.7 -40.79 98.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.048 -1.032 . . . . 0.0 109.601 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.82 75.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.92 . . . . 0.0 109.78 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.9 -42.7 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.04 -44.29 94.75 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 109.078 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.01 -47.42 85.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.146 -0.971 . . . . 0.0 108.806 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.88 -40.23 96.04 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.388 -0.82 . . . . 0.0 109.49 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.4 96.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 0.0 109.213 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.97 -49.27 78.32 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 109.487 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.98 -49.31 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.203 -0.936 . . . . 0.0 109.176 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.81 -40.17 94.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.082 -1.011 . . . . 0.0 109.824 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -60.0 -45.25 93.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 0.0 109.698 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.34 -40.02 89.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 109.549 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.79 -40.04 96.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.49 -42.81 98.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.0 109.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -67.26 -40.01 86.16 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.221 -0.924 . . . . 0.0 108.598 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.0 -49.41 77.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.653 -0.654 . . . . 0.0 109.493 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -39.97 89.34 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.123 -0.986 . . . . 0.0 109.46 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.31 -41.0 92.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.824 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' B' ' 123' ' ' SER . 28.6 mt-30 -62.62 -41.3 98.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 109.958 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.49 -38.11 83.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.244 -0.91 . . . . 0.0 109.398 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.55 -47.68 84.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -127.61 61.72 1.4 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.565 -0.709 . . . . 0.0 109.321 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.461 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.84 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -70.3 144.32 51.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.0 109.416 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -88.42 59.28 5.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.17 -0.956 . . . . 0.0 109.158 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.65 -40.01 92.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.46 -0.775 . . . . 0.0 109.036 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -42.13 93.59 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.275 -0.891 . . . . 0.0 109.484 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.96 -45.32 93.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 108.374 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.611 -0.681 . . . . 0.0 109.433 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.61 88.29 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.61 -46.09 71.65 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.35 -46.43 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.338 -1.095 . . . . 0.0 109.995 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.06 -42.39 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.113 -0.992 . . . . 0.0 108.85 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -62.46 -39.8 94.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.488 -0.758 . . . . 0.0 109.557 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -59.94 -43.24 95.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.344 -0.848 . . . . 0.0 109.322 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -61.39 -40.82 95.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.026 -1.046 . . . . 0.0 109.431 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.08 -42.13 93.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.486 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.21 -39.94 95.03 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.881 . . . . 0.0 109.643 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.87 -40.66 97.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.166 -0.959 . . . . 0.0 109.15 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.14 -43.09 95.96 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.332 -0.855 . . . . 0.0 109.318 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.95 -47.75 84.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.851 . . . . 0.0 109.924 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.98 -40.0 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.212 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -41.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -64.69 -39.96 94.56 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.498 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 31.9 mmt180 -60.37 -40.53 91.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 109.084 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.18 -40.0 88.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.0 109.26 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . 0.402 ' NE2' HG21 ' C' ' 100' ' ' ILE . 5.7 tp-100 -59.99 -48.3 82.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -63.58 -41.7 98.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.115 -0.991 . . . . 0.0 109.469 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.03 -40.47 95.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.052 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.25 -40.27 89.72 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.564 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.443 ' HG2' HH11 ' C' ' 29' ' ' ARG . 43.1 mtt-85 -60.7 -40.34 91.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.126 -0.984 . . . . 0.0 109.549 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.539 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.9 mt -63.11 -40.02 96.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 109.455 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -66.16 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.536 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.6 -41.05 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.339 -0.85 . . . . 0.0 109.137 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.339 -0.851 . . . . 0.0 109.712 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.83 -45.85 93.05 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 40.1 m -60.03 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.988 -1.301 . . . . 0.0 108.745 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -62.09 -39.98 94.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.183 -0.948 . . . . 0.0 109.213 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.96 -40.99 90.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.262 -0.899 . . . . 0.0 110.078 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.09 -40.06 88.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.117 -0.989 . . . . 0.0 108.974 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.02 -40.65 90.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.219 -0.926 . . . . 0.0 109.489 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 50.6 p -60.36 -43.09 96.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.03 -1.044 . . . . 0.0 109.41 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.528 HH22 ' CG ' ' A' ' 82' ' ' ASN . 39.5 mtt-85 -63.86 -39.99 95.51 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.77 -43.17 96.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.687 -0.633 . . . . 0.0 109.648 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 24.2 p -59.97 -40.08 87.86 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.06 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.83 94.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.072 -1.018 . . . . 0.0 108.386 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.01 -39.25 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.686 -0.634 . . . . 0.0 109.588 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.71 -40.02 86.55 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.221 -0.924 . . . . 0.0 109.112 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -64.42 -41.12 96.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.867 -1.146 . . . . 0.0 109.135 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 62.2 m-85 -70.03 -38.23 75.83 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.243 -0.91 . . . . 0.0 109.241 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.159 . . . . 0.0 109.092 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -60.05 -40.18 88.55 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.849 -1.157 . . . . 0.0 108.317 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.03 -39.78 87.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.376 -0.828 . . . . 0.0 109.7 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.701 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.4 -39.91 84.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.634 -1.291 . . . . 0.0 108.794 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.42 81.4 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.846 -1.159 . . . . 0.0 107.927 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -39.41 85.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.87 117.17 9.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.995 -1.066 . . . . 0.0 108.166 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 30.5 m120 -132.85 -64.03 0.76 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.435 -0.79 . . . . 0.0 110.352 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.826 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.64 116.97 3.94 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.171 -0.956 . . . . 0.0 109.897 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.788 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.7 m95 -99.59 128.39 45.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.279 -0.888 . . . . 0.0 110.237 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.53 20.45 65.82 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.934 -1.126 . . . . 0.0 110.485 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.38 23.56 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.721 -1.458 . . . . 0.0 109.013 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.68 106.73 2.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.62 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -120.02 11.8 11.81 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' C' ' 63' ' ' ARG . 23.9 ttt180 -138.3 22.26 2.77 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.555 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.5 152.09 35.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.934 -1.104 . . . . 0.0 108.334 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -100.85 58.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.077 -1.014 . . . . 0.0 108.321 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.45 157.49 43.08 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.497 -0.752 . . . . 0.0 109.39 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -128.79 132.52 47.88 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.417 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -90.74 113.09 25.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.789 -1.195 . . . . 0.0 109.698 -179.065 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.524 ' O ' HG23 ' C' ' 69' ' ' THR . 9.7 t -113.72 122.48 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.531 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 80.3 t -129.54 82.83 66.55 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.434 -0.791 . . . . 0.0 109.884 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -85.21 62.71 5.94 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.669 2.246 . . . . 0.0 111.113 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 15.7 t90 -68.81 132.18 90.81 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.556 -0.715 . . . . 0.0 109.183 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.2 Cg_exo -38.26 149.75 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 121.557 1.505 . . . . 0.0 111.314 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.704 HD21 ' NE2' ' B' ' 52' ' ' GLN . 43.5 t-20 -129.13 -57.04 1.17 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.371 -0.831 . . . . 0.0 109.204 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.67 124.05 34.77 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.2 t -82.31 107.57 15.09 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.68 136.2 34.81 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.556 0.693 . . . . 0.0 110.216 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -95.32 110.29 49.72 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.836 -0.54 . . . . 0.0 109.683 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -93.71 -47.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.316 -1.179 0 C-N-CA 121.538 1.492 . . . . 0.0 113.528 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -121.65 -47.73 2.19 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.487 -0.758 . . . . 0.0 112.661 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.703 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.2 p90 -60.08 -58.08 10.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.479 -1.388 . . . . 0.0 112.636 -176.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.703 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.8 OUTLIER -79.76 -39.86 30.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.592 -178.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.98 -48.92 79.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.173 -0.954 . . . . 0.0 109.696 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.6 -44.64 96.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.025 -1.047 . . . . 0.0 109.811 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.461 HG23 ' O ' ' C' ' 81' ' ' TRP . 47.0 p -61.78 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -61.37 -40.05 92.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.027 -1.045 . . . . 0.0 109.475 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -59.94 -41.06 90.99 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.907 -1.121 . . . . 0.0 108.815 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.26 -41.48 93.32 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.309 -0.869 . . . . 0.0 108.74 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 68.8 t90 -59.98 -49.91 75.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.601 -0.687 . . . . 0.0 109.358 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -43.04 95.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.221 -0.924 . . . . 0.0 109.809 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.123 -0.985 . . . . 0.0 110.519 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -60.04 -42.12 93.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.895 -1.128 . . . . 0.0 109.575 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.08 -40.42 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.126 -0.984 . . . . 0.0 108.771 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.05 -49.48 77.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -60.0 -46.54 89.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.932 -1.105 . . . . 0.0 109.774 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.83 -40.06 87.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.175 -0.953 . . . . 0.0 109.226 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -47.62 85.11 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -45.58 92.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.328 -0.858 . . . . 0.0 109.741 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.487 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.9 t-20 -59.99 -43.96 94.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.106 -0.996 . . . . 0.0 109.761 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . 0.402 HG21 ' NE2' ' C' ' 25' ' ' GLN . 92.7 mt -59.99 -45.98 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.976 -1.077 . . . . 0.0 109.629 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 47.5 p -62.63 -40.82 98.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.075 -1.015 . . . . 0.0 109.581 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.53 77.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.983 . . . . 0.0 109.859 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.34 -42.55 98.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.12 -0.988 . . . . 0.0 109.714 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.02 -44.34 94.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.207 -0.933 . . . . 0.0 109.075 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -59.99 -47.68 84.81 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.115 -0.99 . . . . 0.0 108.783 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -63.48 -40.78 97.99 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.396 -0.815 . . . . 0.0 109.424 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.41 96.75 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.127 -0.983 . . . . 0.0 109.329 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -59.99 -49.17 78.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.911 . . . . 0.0 109.562 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 93.0 mt -59.98 -49.29 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.203 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -64.91 -39.98 94.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.0 109.921 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -60.18 -45.35 93.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.38 -40.11 89.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 109.61 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.922 . . . . 0.0 109.878 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.44 -43.21 98.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.946 -1.096 . . . . 0.0 109.389 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.92 -40.0 87.54 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.92 -49.41 77.81 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.6 -0.688 . . . . 0.0 109.573 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.48 -39.95 89.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 109.411 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' C' ' 123' ' ' SER . 28.6 mt-30 -62.46 -41.73 98.97 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -59.91 -38.12 81.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.926 . . . . 0.0 109.734 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.58 -47.51 85.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -127.9 62.05 1.42 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.616 -0.678 . . . . 0.0 109.329 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.459 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.939 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.35 145.33 47.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.404 -0.81 . . . . 0.0 109.778 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -89.09 61.34 5.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.82 -40.03 96.14 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.52 -0.738 . . . . 0.0 109.153 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 6' ' ' LEU . 6.5 t -60.03 -45.08 93.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.24 -0.912 . . . . 0.0 109.219 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' N ' HG23 ' A' ' 5' ' ' THR . 60.4 tp -60.43 -41.56 94.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 109.133 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.02 -40.03 87.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.818 . . . . 0.0 109.576 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.28 88.58 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.173 -0.954 . . . . 0.0 108.914 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.39 -45.0 57.08 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.94 -47.99 89.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.286 -1.126 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -44.49 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 108.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.67 -40.2 94.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.215 -0.928 . . . . 0.0 109.421 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -41.71 92.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.0 109.372 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.59 -41.38 97.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.043 -1.036 . . . . 0.0 109.145 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.09 -43.55 95.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.147 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.18 -40.22 95.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.18 -0.95 . . . . 0.0 109.405 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.79 -41.79 95.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.924 . . . . 0.0 109.075 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.59 -43.03 97.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.05 -1.031 . . . . 0.0 109.125 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.1 -48.86 79.94 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.81 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -40.43 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.067 -1.02 . . . . 0.0 109.32 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.02 -44.48 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.024 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.73 -40.74 96.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.461 -0.774 . . . . 0.0 109.281 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' CZ ' ' ND2' ' B' ' 99' ' ' ASN . 45.0 mtt-85 -61.76 -39.99 93.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.393 -0.817 . . . . 0.0 109.913 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.05 -40.04 88.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.095 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.04 -45.22 93.57 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.167 -0.958 . . . . 0.0 109.554 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.29 -40.61 90.17 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.004 -1.06 . . . . 0.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.22 -40.32 95.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.089 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.15 -40.01 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.567 -0.708 . . . . 0.0 109.207 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 29' ' ' ARG . 49.5 mtt-85 -59.86 -41.09 90.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.847 . . . . 0.0 109.361 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 84.7 mt -62.81 -39.88 95.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.556 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 109.506 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.12 -40.13 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.381 -0.824 . . . . 0.0 109.296 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -59.95 -41.72 92.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.379 -0.826 . . . . 0.0 109.585 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.63 93.84 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -59.99 -50.04 75.29 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.989 -1.301 . . . . 0.0 109.995 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -61.6 -39.95 93.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.0 109.443 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -59.99 -39.93 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.356 -0.84 . . . . 0.0 109.39 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.09 -39.98 88.02 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.923 -1.11 . . . . 0.0 108.163 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.99 -39.96 87.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.317 -0.864 . . . . 0.0 109.607 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.5 p -60.0 -40.65 89.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.82 -1.175 . . . . 0.0 108.9 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.588 HH22 ' CG ' ' B' ' 82' ' ' ASN . 50.2 mtt-85 -63.71 -39.99 95.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.047 -1.033 . . . . 0.0 108.515 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.35 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.47 -0.769 . . . . 0.0 109.441 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.3 p -60.02 -39.91 87.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.063 -1.023 . . . . 0.0 109.703 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.95 77.16 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.585 -1.322 . . . . 0.0 108.532 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.82 -39.98 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.491 -0.755 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.783 -1.198 . . . . 0.0 108.064 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -59.93 -46.34 89.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.308 -0.87 . . . . 0.0 109.381 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 53.9 m-85 -65.49 -40.07 92.67 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.228 -0.92 . . . . 0.0 109.669 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.97 -39.66 86.41 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.031 -1.043 . . . . 0.0 108.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.05 -39.73 86.95 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.05 -39.47 86.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.384 -0.822 . . . . 0.0 109.214 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.67 -39.96 86.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.84 -1.163 . . . . 0.0 109.027 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.02 -37.06 76.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.917 -1.114 . . . . 0.0 108.602 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -39.87 87.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.215 -0.928 . . . . 0.0 108.497 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.7 109.45 7.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.969 -1.082 . . . . 0.0 108.611 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 25.1 m120 -133.44 -63.18 0.76 Allowed 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.35 111.84 3.2 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.487 ' C ' ' H ' ' A' ' 60' ' ' ALA . 43.5 m95 -131.77 149.99 52.29 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.427 -0.796 . . . . 0.0 110.196 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 54.24 6.8 0.68 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -77.12 24.02 0.18 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.285 -1.126 . . . . 0.0 109.075 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.34 109.4 2.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 0.0 110.277 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -105.46 12.74 31.11 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.223 -0.923 . . . . 0.0 109.962 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 62.2 mtp180 -119.7 22.33 11.65 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.568 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.23 151.74 33.49 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.49 60.26 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.054 -1.029 . . . . 0.0 109.237 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.01 158.12 43.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.463 -0.773 . . . . 0.0 109.182 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -127.5 132.9 49.9 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 68' ' ' THR . 6.3 t -97.31 120.02 36.9 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.161 -0.962 . . . . 0.0 110.636 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 69' ' ' THR . 9.8 t -115.33 122.28 45.41 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.417 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 44.8 t -129.03 85.17 60.78 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.466 -0.771 . . . . 0.0 109.245 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -86.06 64.1 5.25 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.73 2.287 . . . . 0.0 111.788 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.6 t90 -69.94 131.48 89.14 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 109.204 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' TRP . 72.9 Cg_exo -38.31 148.08 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.512 1.475 . . . . 0.0 111.382 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 13.4 t-20 -124.8 -56.16 1.58 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.275 -0.891 . . . . 0.0 109.132 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.42 125.41 33.67 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 t -81.68 108.32 15.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 118.809 -1.157 . . . . 0.0 108.012 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -81.65 135.4 35.53 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.536 0.684 . . . . 0.0 109.64 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -91.54 113.14 57.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -93.96 -46.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.591 1.527 . . . . 0.0 114.109 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -121.25 -45.76 2.33 Favored 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.9 p90 -59.99 -55.6 31.98 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.33 -1.481 . . . . 0.0 112.154 -176.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 7.9 t-20 -78.87 -39.51 35.01 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.216 -1.552 . . . . 0.0 109.701 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.95 -47.7 84.72 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.186 -0.946 . . . . 0.0 109.114 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -43.93 95.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.988 . . . . 0.0 109.078 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 81' ' ' TRP . 77.7 p -68.14 -39.99 82.54 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.002 -1.062 . . . . 0.0 109.33 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -61.38 -40.04 92.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.078 -1.014 . . . . 0.0 109.303 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.95 -42.48 94.14 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 120.963 -1.086 . . . . 0.0 108.081 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -40.06 96.17 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.583 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.8 t90 -59.96 -50.02 75.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.511 -0.743 . . . . 0.0 109.189 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.5 -39.97 94.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.192 -0.943 . . . . 0.0 109.296 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.32 -41.61 98.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 110.032 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -60.03 -42.55 94.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.597 -1.314 . . . . 0.0 109.303 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.26 -42.45 90.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.213 -0.929 . . . . 0.0 108.828 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.45 -40.15 93.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.421 -0.799 . . . . 0.0 110.625 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -68.89 -40.01 79.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.785 -1.197 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.17 -40.27 78.24 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.114 -0.992 . . . . 0.0 108.448 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.23 -47.28 86.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.55 -41.01 93.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.001 . . . . 0.0 109.646 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.587 ' ND2' ' CZ ' ' C' ' 23' ' ' ARG . 50.7 t-20 -66.24 -40.91 90.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.118 -0.989 . . . . 0.0 109.74 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.59 -40.11 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 120.993 -1.067 . . . . 0.0 109.381 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.0 p -62.45 -40.19 95.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.184 -0.948 . . . . 0.0 109.703 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.36 -0.837 . . . . 0.0 109.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.65 -40.07 95.94 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.334 -0.947 . . . . 0.0 109.541 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.68 -44.98 95.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.963 -1.086 . . . . 0.0 109.068 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.08 83.18 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.17 -0.956 . . . . 0.0 108.974 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.46 -40.46 96.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.587 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.23 -44.32 97.46 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.317 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.92 -49.7 76.66 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.148 -0.97 . . . . 0.0 109.121 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.07 -49.88 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.16 -0.963 . . . . 0.0 109.512 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.02 -40.53 98.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.332 -0.855 . . . . 0.0 109.559 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.0 -50.04 75.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.341 -0.849 . . . . 0.0 109.454 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.5 -42.54 96.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.164 -0.96 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.48 -42.46 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.298 -0.876 . . . . 0.0 109.767 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -0.957 . . . . 0.0 109.149 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.76 -39.94 84.1 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -60.1 -48.78 80.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 0.0 109.634 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.317 -0.865 . . . . 0.0 109.69 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.5 mt-30 -60.05 -41.43 92.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.809 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.0 -39.52 86.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.248 -0.907 . . . . 0.0 109.424 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.1 -47.26 85.9 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -126.11 61.96 1.26 Allowed 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.095 -1.003 . . . . 0.0 109.075 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.28 145.33 47.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.242 -0.911 . . . . 0.0 109.705 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 36.0 p -88.8 61.49 6.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 109.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -62.95 -39.94 96.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.484 -0.76 . . . . 0.0 109.142 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.551 HG23 ' N ' ' B' ' 6' ' ' LEU . 6.3 t -60.05 -45.04 94.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.551 ' N ' HG23 ' B' ' 5' ' ' THR . 61.0 tp -60.37 -41.66 94.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.18 -0.95 . . . . 0.0 109.199 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.06 -39.99 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.472 -0.768 . . . . 0.0 109.61 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.9 87.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.921 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.89 -44.83 54.86 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -47.82 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 109.552 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.0 -44.7 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.093 -1.004 . . . . 0.0 108.965 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -61.58 -39.98 93.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.998 . . . . 0.0 109.438 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.14 -41.84 93.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.417 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.15 -41.54 96.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.063 -1.023 . . . . 0.0 109.176 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.28 -43.26 96.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.26 -0.9 . . . . 0.0 109.145 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.4 -40.23 95.84 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.205 -0.934 . . . . 0.0 109.309 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.9 -41.77 95.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.116 -0.99 . . . . 0.0 109.143 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.6 -42.87 97.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.12 -0.987 . . . . 0.0 109.171 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.04 -48.97 79.52 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.03 -40.57 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.003 -1.06 . . . . 0.0 109.332 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.94 -44.65 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.225 -0.922 . . . . 0.0 108.924 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.72 -40.62 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 0.0 109.259 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.602 ' CZ ' ' ND2' ' C' ' 99' ' ' ASN . 44.1 mtt-85 -61.87 -39.98 93.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.413 -0.804 . . . . 0.0 109.839 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.1 -40.03 88.22 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.106 -0.996 . . . . 0.0 109.066 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.93 -45.49 92.44 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.223 -0.923 . . . . 0.0 109.418 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.92 -40.75 91.73 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.001 -1.062 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.26 -40.26 95.61 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.314 -0.866 . . . . 0.0 109.19 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.18 -39.97 88.35 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.515 -0.741 . . . . 0.0 109.197 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 29' ' ' ARG . 49.4 mtt-85 -60.0 -41.01 91.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.0 109.404 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.56 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.4 mt -62.66 -40.18 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.299 -0.876 . . . . 0.0 109.578 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.6 p -64.76 -40.06 94.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.25 -39.99 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.832 . . . . 0.0 109.211 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -60.04 -41.24 91.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.534 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.5 -46.55 94.17 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.04 -50.14 74.9 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.28 . . . . 0.0 109.942 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -61.55 -39.89 92.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.283 -0.886 . . . . 0.0 109.446 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.04 -39.98 87.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.571 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.947 -1.096 . . . . 0.0 108.264 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.02 -40.1 88.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.384 -0.823 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' B' ' 43' ' ' THR . 47.5 p -59.97 -40.27 88.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.904 -1.123 . . . . 0.0 108.997 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.565 HH22 ' CG ' ' C' ' 82' ' ' ASN . 50.0 mtt-85 -64.14 -39.94 95.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.033 -1.042 . . . . 0.0 108.195 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.51 -41.66 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.489 -0.757 . . . . 0.0 109.524 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 40' ' ' THR . 54.9 p -60.01 -39.96 87.62 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.986 -1.071 . . . . 0.0 109.736 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.01 77.99 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.487 -1.383 . . . . 0.0 108.609 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.71 -40.02 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.519 -0.738 . . . . 0.0 110.444 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -40.0 87.74 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.837 -1.164 . . . . 0.0 108.079 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -59.99 -46.53 89.16 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.415 -0.803 . . . . 0.0 109.38 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 54.8 m-85 -65.4 -40.0 92.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -59.93 -39.64 86.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.0 108.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.07 -39.52 86.32 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.07 -39.29 85.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.396 -0.815 . . . . 0.0 109.237 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.7 OUTLIER -59.93 -39.87 86.99 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.802 -1.186 . . . . 0.0 109.026 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.09 -37.13 76.39 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.936 -1.102 . . . . 0.0 108.506 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.98 -39.55 86.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.945 . . . . 0.0 108.507 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.0 109.52 7.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.025 -1.047 . . . . 0.0 108.669 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.3 m120 -133.58 -62.87 0.77 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.66 111.79 3.11 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.493 ' C ' ' H ' ' B' ' 60' ' ' ALA . 44.0 m95 -131.98 149.99 52.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.402 -0.811 . . . . 0.0 110.169 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 54.2 6.81 0.68 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -77.16 23.77 0.18 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.306 -1.114 . . . . 0.0 109.123 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.23 109.52 2.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.196 -0.94 . . . . 0.0 110.266 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -105.54 13.16 30.44 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.255 -0.903 . . . . 0.0 110.069 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.503 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 62.4 mtp180 -120.07 22.43 11.44 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.563 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.25 151.79 33.54 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 179.227 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -107.65 60.19 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.013 -1.054 . . . . 0.0 109.175 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.98 157.7 43.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.485 -0.759 . . . . 0.0 109.245 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.2 133.17 50.31 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 68' ' ' THR . 6.3 t -97.45 120.27 37.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.11 -0.993 . . . . 0.0 110.532 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.544 ' O ' HG23 ' B' ' 69' ' ' THR . 9.8 t -115.48 122.42 45.7 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 42.7 t -129.03 85.45 60.0 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 121.351 -0.843 . . . . 0.0 109.283 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.24 64.15 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.71 2.273 . . . . 0.0 111.916 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.5 t90 -70.04 131.35 89.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.595 -0.691 . . . . 0.0 109.234 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' B' ' 72' ' ' TRP . 73.8 Cg_exo -38.31 148.14 0.1 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 121.46 1.44 . . . . 0.0 111.307 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 13.2 t-20 -124.88 -56.43 1.57 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.418 -0.801 . . . . 0.0 109.018 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.04 125.38 33.39 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.7 t -81.69 108.5 15.29 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 118.796 -1.161 . . . . 0.0 107.936 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -81.6 135.92 35.56 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.5 0.667 . . . . 0.0 109.558 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.677 ' O ' HG23 ' B' ' 78' ' ' THR . 15.3 t -91.8 113.03 57.55 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -93.84 -46.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.607 1.538 . . . . 0.0 114.033 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -121.21 -45.76 2.33 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.668 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.9 p90 -60.02 -55.82 29.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.368 -1.457 . . . . 0.0 112.083 -176.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.668 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 7.7 t-20 -78.59 -39.66 36.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.18 -1.575 . . . . 0.0 109.676 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -60.01 -47.55 85.37 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.147 -0.97 . . . . 0.0 109.022 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.06 -43.61 95.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.094 -1.004 . . . . 0.0 109.134 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.439 HG23 ' O ' ' B' ' 81' ' ' TRP . 76.3 p -68.57 -39.94 80.79 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.04 -1.037 . . . . 0.0 109.26 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -61.49 -40.04 93.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.088 -1.008 . . . . 0.0 109.149 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.0 -42.27 93.92 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.933 -1.104 . . . . 0.0 108.103 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.17 96.36 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.525 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.8 t90 -60.0 -49.93 75.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.45 -0.781 . . . . 0.0 109.289 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.18 -40.03 95.25 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.249 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.32 -41.46 98.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.08 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -60.01 -42.82 95.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.614 -1.304 . . . . 0.0 109.242 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.16 -42.24 89.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.226 -0.921 . . . . 0.0 108.792 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.35 -40.19 93.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 0.0 110.747 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -68.94 -40.07 79.19 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.703 -1.248 . . . . 0.0 109.408 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.16 -40.01 78.43 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.108 -0.995 . . . . 0.0 108.507 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.78 -46.77 89.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.782 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -40.98 92.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.958 -1.089 . . . . 0.0 109.703 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.562 ' ND2' ' CZ ' ' A' ' 23' ' ' ARG . 51.6 t-20 -66.16 -41.09 90.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -65.55 -40.18 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.023 -1.048 . . . . 0.0 109.378 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.626 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.76 80.39 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.0 109.837 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.65 -40.45 96.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.086 -1.009 . . . . 0.0 109.479 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.41 -44.99 96.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.076 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.01 -48.36 82.01 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.185 -0.947 . . . . 0.0 108.922 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.17 -40.64 96.7 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.418 -0.801 . . . . 0.0 109.703 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.27 97.55 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.274 -0.891 . . . . 0.0 109.236 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.0 -49.71 76.61 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.1 -1.0 . . . . 0.0 109.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.96 -49.99 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.434 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.92 -40.66 98.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -59.94 -50.04 75.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.245 -0.909 . . . . 0.0 109.516 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.38 -42.28 95.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.185 -0.947 . . . . 0.0 109.367 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.73 -42.18 96.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.34 -0.85 . . . . 0.0 109.79 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -62.95 -42.29 99.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.076 -1.015 . . . . 0.0 108.973 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.8 -40.01 83.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.29 -0.881 . . . . 0.0 108.873 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.94 -48.76 80.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.48 -0.762 . . . . 0.0 109.311 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.42 -40.05 89.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.885 . . . . 0.0 109.518 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.12 -41.81 93.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.342 -0.849 . . . . 0.0 109.738 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.4 mt-30 -60.21 -41.43 93.02 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 0.0 109.829 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -60.1 -39.71 87.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -58.94 -46.95 86.75 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -126.22 61.84 1.28 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.511 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.01 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.33 0.585 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -72.59 145.35 47.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.0 109.777 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -88.93 61.52 5.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.878 . . . . 0.0 109.145 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -62.99 -40.06 96.61 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.534 HG23 ' N ' ' C' ' 6' ' ' LEU . 6.5 t -59.95 -45.06 93.87 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.315 -0.866 . . . . 0.0 109.229 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.534 ' N ' HG23 ' C' ' 5' ' ' THR . 60.7 tp -60.54 -41.31 94.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.214 -0.928 . . . . 0.0 109.192 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.35 -39.93 88.93 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.53 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.15 88.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.175 -0.953 . . . . 0.0 108.945 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.56 -44.96 56.29 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.161 -1.576 . . . . 0.0 109.161 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -1.107 . . . . 0.0 109.513 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.13 -44.45 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.031 -1.043 . . . . 0.0 108.827 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -61.79 -39.97 93.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 109.541 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.34 -41.88 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 109.244 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -61.14 -41.56 96.96 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -43.59 94.97 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.203 -0.935 . . . . 0.0 109.257 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.12 -40.06 94.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.377 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.92 -42.08 95.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.081 -1.012 . . . . 0.0 109.013 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.23 -43.06 96.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.145 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.0 -48.92 79.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.168 -0.958 . . . . 0.0 109.878 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.05 -40.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.975 -1.078 . . . . 0.0 109.328 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -44.71 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.31 -0.868 . . . . 0.0 108.911 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.81 -40.93 96.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.512 -0.743 . . . . 0.0 109.171 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.587 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 44.5 mtt-85 -61.56 -39.99 93.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.864 . . . . 0.0 109.795 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.07 -40.06 88.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 109.155 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.96 -45.02 94.01 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.154 -0.967 . . . . 0.0 109.483 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.52 -40.24 89.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.931 -1.105 . . . . 0.0 109.401 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.61 -40.12 95.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.265 -0.897 . . . . 0.0 108.968 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.23 -39.97 88.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.48 -0.763 . . . . 0.0 109.243 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' C' ' 29' ' ' ARG . 48.6 mtt-85 -59.97 -40.88 90.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.391 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.583 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.7 mt -62.9 -40.08 96.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -64.81 -40.06 94.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 109.481 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.13 -40.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.89 . . . . 0.0 109.256 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -60.0 -41.75 92.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.533 -0.73 . . . . 0.0 109.522 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -46.54 93.98 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.21 -50.0 75.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.045 -1.268 . . . . 0.0 109.894 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -61.64 -39.98 93.25 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.0 109.403 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.423 HD21 HD21 ' A' ' 82' ' ' ASN . 58.4 t-20 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.338 -0.851 . . . . 0.0 109.377 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.812 -1.18 . . . . 0.0 108.206 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.259 -0.901 . . . . 0.0 109.632 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' C' ' 43' ' ' THR . 47.7 p -59.96 -40.21 88.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.843 -1.161 . . . . 0.0 108.957 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.56 HH22 ' CG ' ' A' ' 82' ' ' ASN . 50.0 mtt-85 -64.07 -40.0 95.31 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.8 -41.48 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.532 -0.73 . . . . 0.0 109.412 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' C' ' 40' ' ' THR . 54.5 p -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.998 -1.064 . . . . 0.0 109.636 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.95 78.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.438 -1.414 . . . . 0.0 108.522 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.597 -0.689 . . . . 0.0 110.37 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.757 -1.214 . . . . 0.0 108.058 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -60.04 -46.32 89.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.42 -0.8 . . . . 0.0 109.385 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -65.44 -40.02 92.78 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.0 109.689 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.02 -39.75 86.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -60.01 -39.77 86.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.848 -1.158 . . . . 0.0 107.948 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.97 -39.29 85.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.128 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -59.77 -40.06 86.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.807 -1.183 . . . . 0.0 109.024 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -58.93 -36.97 75.65 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.966 -1.084 . . . . 0.0 108.524 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.02 -39.95 87.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.201 -0.937 . . . . 0.0 108.53 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -73.43 109.49 6.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.024 -1.048 . . . . 0.0 108.598 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.2 m120 -133.64 -62.71 0.77 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.79 111.42 3.03 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.462 ' C ' ' H ' ' C' ' 60' ' ' ALA . 44.0 m95 -131.54 150.1 52.27 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.448 -0.782 . . . . 0.0 110.205 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.01 7.17 0.7 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -77.61 24.03 0.22 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.267 -1.137 . . . . 0.0 109.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.34 109.83 2.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.124 -0.985 . . . . 0.0 110.281 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.04 13.11 29.64 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 121.243 -0.91 . . . . 0.0 110.014 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 62.7 mtp180 -120.02 22.33 11.5 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.588 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.21 151.82 33.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -107.54 60.23 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.107 -0.995 . . . . 0.0 109.27 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 158.09 43.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.416 -0.803 . . . . 0.0 109.244 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -127.41 133.05 50.0 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.481 ' O ' HG23 ' C' ' 68' ' ' THR . 6.3 t -97.5 120.13 37.31 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.222 -0.924 . . . . 0.0 110.532 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.551 ' O ' HG23 ' C' ' 69' ' ' THR . 9.9 t -115.53 122.15 44.82 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.414 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 42.3 t -128.72 85.34 60.52 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.367 -0.833 . . . . 0.0 109.304 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.19 64.2 5.13 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.759 2.306 . . . . 0.0 111.864 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.424 ' O ' ' C ' ' C' ' 73' ' ' PRO . 17.2 t90 -70.07 131.51 88.9 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.424 ' C ' ' O ' ' C' ' 72' ' ' TRP . 72.9 Cg_exo -38.35 148.25 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.236 0 C-N-CA 121.445 1.43 . . . . 0.0 111.233 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.553 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 13.2 t-20 -124.97 -56.84 1.55 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.0 108.991 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.96 125.02 33.06 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -81.37 108.44 14.98 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.052 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 46.6 mt -81.43 135.92 35.66 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.615 0.721 . . . . 0.0 109.628 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.671 HG23 ' O ' ' C' ' 78' ' ' THR . 15.4 t -91.82 112.96 57.27 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -93.82 -46.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.615 1.543 . . . . 0.0 113.985 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -121.25 -45.84 2.32 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.674 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.6 p90 -60.01 -55.74 30.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.281 -1.512 . . . . 0.0 112.097 -176.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.674 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 7.5 t-20 -78.64 -39.66 36.4 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.072 -1.642 . . . . 0.0 109.678 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.98 -47.57 85.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.132 -0.98 . . . . 0.0 109.159 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.04 -43.76 95.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 109.119 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.449 HG23 ' O ' ' C' ' 81' ' ' TRP . 76.2 p -68.41 -39.95 81.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.146 -0.971 . . . . 0.0 109.17 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -61.58 -39.98 93.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.13 -0.981 . . . . 0.0 109.166 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -42.33 94.07 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.907 -1.121 . . . . 0.0 108.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.53 -40.1 96.14 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.5 t90 -59.94 -49.95 75.67 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.24 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.55 -40.03 94.84 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.183 -0.948 . . . . 0.0 109.214 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -62.24 -41.44 98.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.145 -0.972 . . . . 0.0 110.17 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -60.07 -42.4 94.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.653 -1.279 . . . . 0.0 109.235 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.55 -42.61 92.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.184 -0.947 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.79 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -68.53 -39.96 80.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.833 -1.167 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.28 -39.98 78.03 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.309 -0.956 . . . . 0.0 108.529 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.02 -46.2 91.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.353 -0.842 . . . . 0.0 109.784 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.23 -40.8 90.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.044 -1.035 . . . . 0.0 109.65 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.602 ' ND2' ' CZ ' ' B' ' 23' ' ' ARG . 51.5 t-20 -66.33 -41.06 90.16 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.795 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.54 -40.01 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.425 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 25.1 p -62.71 -39.97 95.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.04 . . . . 0.0 109.631 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.96 79.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.871 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.65 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.096 -1.002 . . . . 0.0 109.588 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.68 -45.28 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.967 -1.083 . . . . 0.0 108.954 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.04 -48.05 83.32 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.195 -0.941 . . . . 0.0 108.933 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.567 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.45 97.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 109.226 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.09 -49.47 77.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.189 -0.944 . . . . 0.0 109.215 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.07 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.9 -40.65 98.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 0.0 109.588 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.03 -50.0 75.44 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.165 -0.959 . . . . 0.0 109.419 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.33 -42.54 95.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.118 -0.989 . . . . 0.0 109.292 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.46 -42.42 96.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 0.0 109.777 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -62.52 -42.52 99.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.118 -0.989 . . . . 0.0 109.111 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.82 -39.95 83.86 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -48.58 81.12 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.437 -0.789 . . . . 0.0 109.365 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.31 -39.99 88.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.311 -0.868 . . . . 0.0 109.639 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.17 -41.83 93.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.5 mt-30 -59.99 -41.68 92.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.275 -0.89 . . . . 0.0 109.973 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.0 -38.88 83.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.211 -0.93 . . . . 0.0 109.603 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.78 -46.98 87.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.23 62.03 1.27 Allowed 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.512 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 p . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.107 -0.996 . . . . 0.0 109.025 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.411 0.625 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.522 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 77.7 mt-30 -68.5 143.32 55.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.379 -0.825 . . . . 0.0 109.549 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -91.2 59.87 4.08 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -0.865 . . . . 0.0 109.577 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' NH2' ' OE1' ' A' ' 2' ' ' GLN . 51.0 mtt-85 -64.95 -40.04 94.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.568 -0.708 . . . . 0.0 109.345 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.8 t -60.34 -41.37 93.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.266 -0.896 . . . . 0.0 109.32 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' N ' HG23 ' A' ' 5' ' ' THR . 58.9 tp -60.1 -43.68 95.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.22 -0.925 . . . . 0.0 108.561 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.62 -40.05 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.6 -0.688 . . . . 0.0 109.5 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.7 92.49 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.19 -45.03 89.61 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.849 -1.701 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.22 -46.82 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -1.093 . . . . 0.0 109.058 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.05 -46.48 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 HE21 ' NE2' ' B' ' 110' ' ' GLN . 26.7 mt-30 -61.59 -38.32 87.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.346 178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -59.93 -41.8 92.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 109.224 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -63.02 -40.18 96.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.992 -1.068 . . . . 0.0 109.11 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -60.46 -40.27 90.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.347 -0.846 . . . . 0.0 109.833 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -66.72 -40.0 88.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.814 -1.179 . . . . 0.0 109.515 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.27 -41.35 99.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.0 109.485 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' CD2' HE21 ' A' ' 108' ' ' GLN . 50.9 tp -60.28 -43.1 96.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.387 -0.821 . . . . 0.0 109.547 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.0 -45.32 93.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.122 -0.986 . . . . 0.0 110.009 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -40.19 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 110.015 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.17 -42.03 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.888 . . . . 0.0 108.746 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.01 -40.75 94.74 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.34 0.59 . . . . 0.0 109.596 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.699 ' NH1' HD22 ' B' ' 99' ' ' ASN . 31.3 mmt180 -60.44 -40.32 90.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.509 -0.745 . . . . 0.0 109.264 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -59.92 -40.05 87.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.319 -0.863 . . . . 0.0 109.033 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.85 -48.96 79.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.779 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.72 -40.5 96.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.602 -1.311 . . . . 0.0 109.274 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.06 -41.4 96.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.209 -0.932 . . . . 0.0 109.313 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.22 -41.01 92.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.479 -0.763 . . . . 0.0 109.712 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 29' ' ' ARG . 42.6 mtt-85 -60.23 -39.87 88.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.953 -1.092 . . . . 0.0 109.249 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.0 mt -61.49 -40.04 93.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.278 -0.889 . . . . 0.0 109.655 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -65.64 -40.05 92.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.05 -1.031 . . . . 0.0 109.865 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.77 -40.13 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.145 -0.972 . . . . 0.0 108.926 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -60.05 -42.82 95.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.477 -0.764 . . . . 0.0 110.354 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.83 93.47 Favored Glycine 0 N--CA 1.486 2.024 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.105 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -60.26 -49.99 75.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.075 -1.25 . . . . 0.0 109.913 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -60.05 -39.87 87.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.023 -1.048 . . . . 0.0 109.698 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -59.62 -40.09 86.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.438 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.0 88.96 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.949 -1.094 . . . . 0.0 108.735 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.395 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 43' ' ' THR . 69.8 p -59.92 -40.83 90.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.925 -1.11 . . . . 0.0 108.708 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.708 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.9 mtt-85 -67.35 -39.76 85.76 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.05 -41.05 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.016 -1.053 . . . . 0.0 108.741 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 40' ' ' THR . 70.9 p -59.94 -41.01 90.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.815 -1.178 . . . . 0.0 109.196 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.1 96.98 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.936 -1.102 . . . . 0.0 108.454 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.07 -40.2 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.676 -0.64 . . . . 0.0 110.133 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.567 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 12.5 mm-40 -60.2 -40.31 89.6 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 109.026 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.55 -42.01 98.21 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.301 -0.874 . . . . 0.0 110.808 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CE1' ' O ' ' B' ' 74' ' ' ASN . 63.3 m-85 -68.08 -38.43 82.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.057 -1.027 . . . . 0.0 109.579 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 84.3 mt -59.94 -39.79 86.72 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.737 -1.227 . . . . 0.0 108.42 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.57 -38.51 81.33 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.382 -1.449 . . . . 0.0 108.159 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -63.09 -26.93 69.06 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.66 ' NE2' HD21 ' A' ' 74' ' ' ASN . 6.5 tt0 -59.92 -43.26 95.01 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.17 79.86 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.501 -0.75 . . . . 0.0 109.908 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -80.08 112.44 17.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.946 -1.096 . . . . 0.0 109.164 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.15 -72.12 0.51 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.364 -0.835 . . . . 0.0 109.214 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.2 94.3 2.29 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.412 ' C ' ' H ' ' A' ' 60' ' ' ALA . 52.2 m95 -112.67 145.31 40.67 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.576 -0.702 . . . . 0.0 110.927 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.29 0.6 4.69 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -73.89 24.84 0.07 Allowed 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.421 -1.046 . . . . 0.0 108.975 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.72 112.45 3.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.096 -1.002 . . . . 0.0 109.651 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -114.27 12.03 17.56 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.495 -0.753 . . . . 0.0 110.504 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 HH22 ' HB3' ' C' ' 63' ' ' ARG . 10.7 ptp180 -121.06 21.75 11.2 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -144.18 151.05 38.97 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.1 58.66 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.035 -1.04 . . . . 0.0 108.55 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.91 158.1 42.72 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.47 -0.769 . . . . 0.0 109.604 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -127.15 133.65 50.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 68' ' ' THR . 5.3 t -98.64 119.71 37.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.136 -0.978 . . . . 0.0 111.111 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 69' ' ' THR . 10.0 t -116.64 119.28 35.01 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 84.3 t -122.45 93.07 48.75 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.436 -0.79 . . . . 0.0 109.15 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -87.01 62.71 4.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.765 2.31 . . . . 0.0 112.325 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' PRO . 33.2 t90 -70.1 130.66 89.48 Favored Pre-proline 0 N--CA 1.493 1.706 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' TRP . 97.5 Cg_exo -38.32 147.63 0.11 Allowed 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.418 1.412 . . . . 0.0 112.066 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.66 HD21 ' NE2' ' A' ' 52' ' ' GLN . 65.4 t30 -130.7 -58.76 1.03 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.567 ' HB1' ' CD ' ' A' ' 46' ' ' GLU . . . -86.73 123.78 32.26 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.72 109.53 16.96 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.13 136.44 35.9 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.444 0.64 . . . . 0.0 109.394 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 78' ' ' THR . 12.4 t -93.16 112.96 58.58 Favored Pre-proline 0 N--CA 1.494 1.732 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -94.61 -47.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 0.976 0 C-N-CA 121.647 1.565 . . . . 0.0 114.541 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.06 -44.39 2.41 Favored 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.97 -49.93 75.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.28 -1.513 . . . . 0.0 112.605 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.684 ' ND2' HH21 ' C' ' 41' ' ' ARG . 61.1 t30 -71.02 -41.09 71.33 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.009 -1.682 . . . . 0.0 110.595 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -59.94 -49.96 75.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.0 . . . . 0.0 110.156 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.0 -44.91 94.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.955 -1.091 . . . . 0.0 109.155 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 81' ' ' TRP . 81.9 p -70.03 -40.07 75.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.132 -0.98 . . . . 0.0 109.911 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 42.8 t-105 -67.45 -39.97 85.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.028 -1.045 . . . . 0.0 109.301 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -60.01 -40.73 90.23 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.678 -1.264 . . . . 0.0 108.571 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.25 -41.08 96.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.04 -1.038 . . . . 0.0 108.505 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.563 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.6 t90 -60.08 -50.11 74.99 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.496 -0.752 . . . . 0.0 109.197 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.33 -41.22 98.37 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.379 -0.825 . . . . 0.0 109.373 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -63.28 -40.29 96.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.487 -0.758 . . . . 0.0 110.192 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.36 -40.86 92.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.82 -1.175 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.26 -40.98 91.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -60.64 -44.68 96.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -66.89 -40.28 87.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.93 -1.106 . . . . 0.0 109.48 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.17 -40.35 86.59 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.115 -0.991 . . . . 0.0 109.208 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.27 -49.28 78.25 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 108.941 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.06 -42.22 98.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.466 -0.771 . . . . 0.0 109.661 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.7 HD22 ' NH1' ' C' ' 23' ' ' ARG . 96.6 m-20 -62.33 -40.12 95.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.034 -1.041 . . . . 0.0 109.391 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.23 -41.38 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.114 -0.991 . . . . 0.0 109.272 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.2 p -62.49 -41.28 98.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.03 -1.044 . . . . 0.0 109.105 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.59 81.09 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.403 -0.81 . . . . 0.0 109.005 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.19 -47.13 87.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.43 -0.794 . . . . 0.0 109.761 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 18' ' ' LEU . 83.6 mt -59.99 -41.96 93.19 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.356 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.12 -48.86 79.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 109.181 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.71 -41.87 96.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.518 -0.739 . . . . 0.0 109.591 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.17 93.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.005 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.473 HE21 ' CD2' ' A' ' 18' ' ' LEU . 48.4 mm-40 -59.97 -46.9 87.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.053 -1.029 . . . . 0.0 109.401 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.17 -49.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.189 -0.944 . . . . 0.0 109.571 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.96 -40.32 83.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.86 . . . . 0.0 109.976 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -60.03 -49.16 78.76 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.78 -40.53 97.59 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.12 -0.987 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.11 -40.06 96.53 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.014 -1.054 . . . . 0.0 109.648 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -67.57 -40.1 84.88 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.977 -1.077 . . . . 0.0 109.385 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.81 -39.88 76.28 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.089 -1.007 . . . . 0.0 108.645 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.06 -48.2 82.69 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.29 -40.25 93.46 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.187 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -41.64 92.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.241 -0.912 . . . . 0.0 109.603 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 78.0 mt-30 -61.0 -42.46 98.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.937 -1.102 . . . . 0.0 109.927 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -60.29 -40.03 89.03 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.0 109.367 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.466 HD13 ' NH1' ' A' ' 4' ' ' ARG . 99.5 mt -59.45 -49.11 79.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -116.48 58.86 0.75 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.655 -0.653 . . . . 0.0 109.292 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.894 -1.128 . . . . 0.0 109.007 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.526 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.323 0.582 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.542 ' OE1' ' NH2' ' B' ' 4' ' ' ARG . 77.8 mt-30 -68.57 143.22 54.96 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.526 -0.734 . . . . 0.0 109.606 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -90.88 59.89 4.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.076 -1.015 . . . . 0.0 109.58 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.542 ' NH2' ' OE1' ' B' ' 2' ' ' GLN . 49.7 mtt-85 -64.81 -40.09 94.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.627 -0.67 . . . . 0.0 109.335 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.475 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.6 t -60.34 -41.61 93.97 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.293 -0.88 . . . . 0.0 109.407 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.475 ' N ' HG23 ' B' ' 5' ' ' THR . 58.9 tp -59.98 -43.94 94.82 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.57 -40.19 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.45 -0.781 . . . . 0.0 109.457 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.46 90.43 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.932 -1.105 . . . . 0.0 108.308 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.21 -44.68 90.44 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.36 -46.52 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -1.033 . . . . 0.0 109.107 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.05 -46.68 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.012 -1.055 . . . . 0.0 108.766 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.83 -38.23 87.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.609 -0.682 . . . . 0.0 109.207 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -59.99 -41.85 92.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.157 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.03 -40.03 96.52 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.899 -1.126 . . . . 0.0 109.042 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.32 -40.25 89.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 109.836 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -66.85 -40.07 87.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.279 -0.888 . . . . 0.0 109.42 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.36 -41.34 98.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.303 -0.873 . . . . 0.0 109.328 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.463 ' CD2' HE21 ' B' ' 108' ' ' GLN . 49.6 tp -60.12 -43.35 95.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 0.0 109.804 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.87 -45.32 92.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.0 109.893 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.95 -40.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.112 -0.992 . . . . 0.0 109.88 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.19 -41.65 87.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.246 -0.909 . . . . 0.0 108.926 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 61.0 tttp -61.02 -40.96 95.55 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.379 0.609 . . . . 0.0 109.508 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.67 ' NH1' HD22 ' C' ' 99' ' ' ASN . 31.3 mmt180 -60.39 -40.06 89.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.356 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.92 -40.09 87.68 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.142 -0.973 . . . . 0.0 109.137 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.97 -48.61 80.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.759 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 4.9 mp0 -63.9 -40.17 95.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.688 -1.257 . . . . 0.0 109.277 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.25 -41.34 96.73 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.373 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.32 -40.75 91.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.465 -0.772 . . . . 0.0 109.919 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' B' ' 29' ' ' ARG . 42.9 mtt-85 -59.99 -40.21 88.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.952 . . . . 0.0 109.439 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.505 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.8 mt -61.28 -40.12 92.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.389 -0.819 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 71.9 p -65.5 -39.99 92.53 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.095 -1.003 . . . . 0.0 109.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.95 -40.09 84.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.329 -0.857 . . . . 0.0 108.942 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -60.09 -42.77 95.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.507 -0.746 . . . . 0.0 110.312 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -46.78 93.54 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.806 -1.188 . . . . 0.0 110.296 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -60.63 -49.93 75.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.947 -1.325 . . . . 0.0 109.751 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -60.06 -39.6 86.57 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.028 -1.045 . . . . 0.0 109.721 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.02 -40.04 87.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 109.401 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.1 -40.14 88.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.051 -1.031 . . . . 0.0 108.731 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 0.0 109.64 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' B' ' 43' ' ' THR . 69.0 p -60.01 -40.38 89.06 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.866 -1.147 . . . . 0.0 108.503 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.712 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.4 mtt-85 -67.28 -39.84 86.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.261 -0.899 . . . . 0.0 108.86 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.06 -40.83 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.264 -0.897 . . . . 0.0 108.86 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 40' ' ' THR . 69.6 p -60.09 -40.95 91.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.827 -1.17 . . . . 0.0 109.139 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.55 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.22 -40.06 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.606 -0.684 . . . . 0.0 110.251 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.554 ' CD ' ' HB1' ' B' ' 75' ' ' ALA . 12.3 mm-40 -60.31 -39.95 88.82 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.251 -0.906 . . . . 0.0 109.108 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' C' ' 74' ' ' ASN . 63.9 m-85 -67.27 -38.85 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.037 -1.04 . . . . 0.0 109.63 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' B' ' 75' ' ' ALA . 84.6 mt -59.91 -39.1 84.24 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.677 -1.264 . . . . 0.0 108.557 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.85 -38.47 82.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.504 -1.373 . . . . 0.0 108.199 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.57 -26.92 68.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.671 ' NE2' HD21 ' B' ' 74' ' ' ASN . 6.5 tt0 -59.94 -43.74 94.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.89 78.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.1 -39.94 87.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.907 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -79.95 112.85 17.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.591 -1.318 . . . . 0.0 109.166 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 24.6 m120 -133.24 -72.28 0.51 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.328 -0.857 . . . . 0.0 109.231 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.15 93.91 2.24 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.407 ' C ' ' H ' ' B' ' 60' ' ' ALA . 50.9 m95 -112.39 145.51 39.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.501 -0.75 . . . . 0.0 110.86 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.8 1.16 4.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.511 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -74.32 25.14 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.304 -1.115 . . . . 0.0 108.957 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.31 112.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.234 -0.916 . . . . 0.0 109.824 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -114.25 12.1 17.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.619 -0.675 . . . . 0.0 110.432 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.405 ' HB3' HH22 ' C' ' 63' ' ' ARG . 10.5 ptp180 -120.64 21.13 11.63 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -143.43 151.48 40.41 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -107.06 58.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 120.97 -1.081 . . . . 0.0 108.624 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.72 158.08 42.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.559 -0.713 . . . . 0.0 109.622 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -126.84 133.62 50.71 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.439 HG23 ' O ' ' B' ' 68' ' ' THR . 5.0 t -98.75 119.67 37.89 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.169 -0.957 . . . . 0.0 111.104 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.549 ' O ' HG23 ' B' ' 69' ' ' THR . 9.9 t -116.52 119.14 34.64 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.415 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 89.7 t -121.97 93.38 48.63 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.492 -0.755 . . . . 0.0 109.086 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -87.08 62.24 4.14 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.596 2.197 . . . . 0.0 112.605 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 30.4 t90 -69.84 130.15 90.4 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 99.9 Cg_exo -38.18 147.66 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.236 0 C-N-CA 121.426 1.417 . . . . 0.0 112.114 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.671 HD21 ' NE2' ' B' ' 52' ' ' GLN . 65.4 t30 -130.52 -59.5 1.02 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.554 ' HB1' ' CD ' ' B' ' 46' ' ' GLU . . . -86.38 124.03 32.28 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.86 109.71 17.22 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.74 -1.225 . . . . 0.0 107.723 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.9 mt -81.05 136.34 35.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.688 ' O ' HG23 ' B' ' 78' ' ' THR . 12.4 t -93.08 113.09 58.93 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.554 -0.716 . . . . 0.0 109.078 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -94.41 -48.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.596 1.531 . . . . 0.0 114.468 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -121.17 -44.36 2.39 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.5 p90 -59.92 -50.0 75.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.119 -1.613 . . . . 0.0 112.451 -175.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.708 ' ND2' HH21 ' A' ' 41' ' ' ARG . 61.9 t30 -70.92 -41.04 71.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.272 -1.518 . . . . 0.0 110.654 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.03 -49.97 75.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.197 -0.939 . . . . 0.0 110.083 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.06 -44.89 94.4 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.766 -1.209 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 81' ' ' TRP . 81.5 p -70.03 -39.73 75.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 109.779 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.412 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 43.4 t-105 -67.79 -39.95 84.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.913 -1.117 . . . . 0.0 109.417 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.17 -40.16 88.95 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.642 -1.286 . . . . 0.0 108.648 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.81 -41.19 97.46 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.098 -1.001 . . . . 0.0 108.471 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.5 t90 -60.17 -49.97 75.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.441 -0.787 . . . . 0.0 109.073 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.95 -41.74 98.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.488 -0.758 . . . . 0.0 109.274 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -62.75 -40.32 96.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 110.201 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.7 -40.53 92.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.82 -1.175 . . . . 0.0 109.105 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.73 -40.4 88.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.19 -43.92 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.389 -0.819 . . . . 0.0 110.718 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.732 -1.23 . . . . 0.0 109.676 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.82 -40.52 83.81 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.169 -0.957 . . . . 0.0 108.827 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.03 -49.66 76.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.267 -0.896 . . . . 0.0 108.93 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.52 -42.47 96.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.481 -0.762 . . . . 0.0 109.784 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.699 HD22 ' NH1' ' A' ' 23' ' ' ARG . 96.6 m-20 -61.88 -40.23 94.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.185 -0.947 . . . . 0.0 109.572 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.14 -41.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.243 -0.91 . . . . 0.0 109.277 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -62.06 -41.68 98.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.194 -0.941 . . . . 0.0 109.16 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.09 83.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.863 . . . . 0.0 109.292 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.14 -47.52 85.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.494 -0.754 . . . . 0.0 109.653 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' B' ' 18' ' ' LEU . 84.4 mt -60.18 -41.61 93.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.218 -0.926 . . . . 0.0 109.261 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.2 -49.48 77.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.255 -0.903 . . . . 0.0 109.13 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.12 -41.46 92.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.573 -0.704 . . . . 0.0 109.664 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.4 -45.07 94.9 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.358 -0.839 . . . . 0.0 109.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.463 HE21 ' CD2' ' B' ' 18' ' ' LEU . 47.0 mm-40 -60.03 -46.92 87.9 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.03 -1.044 . . . . 0.0 109.374 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.14 -49.8 82.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.29 -0.882 . . . . 0.0 109.59 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.412 ' NE2' HE21 ' A' ' 12' ' ' GLN . 53.1 tt0 -68.23 -40.04 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.219 -0.926 . . . . 0.0 109.935 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.25 -49.32 78.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.288 -0.883 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.48 -41.0 98.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.91 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -62.69 -40.0 95.75 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.0 109.798 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -67.68 -40.2 84.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.922 -1.111 . . . . 0.0 109.502 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.67 -39.8 76.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 108.661 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -60.23 -48.36 82.06 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -40.14 92.75 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.12 -42.24 94.35 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.41 -0.806 . . . . 0.0 109.804 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.3 mt-30 -60.68 -42.48 97.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.094 -1.004 . . . . 0.0 109.732 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -60.23 -39.89 88.28 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.233 -0.917 . . . . 0.0 109.443 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.457 HD13 ' NH1' ' B' ' 4' ' ' ARG . 98.8 mt -59.57 -49.38 77.98 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.38 58.6 0.75 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.697 -0.627 . . . . 0.0 109.495 178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.444 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.288 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.467 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.447 0.642 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.534 ' OE1' ' NH2' ' C' ' 4' ' ' ARG . 78.3 mt-30 -69.16 143.54 54.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.285 -0.884 . . . . 0.0 109.543 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -91.07 59.85 4.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.534 ' NH2' ' OE1' ' C' ' 2' ' ' GLN . 50.1 mtt-85 -65.04 -40.06 94.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.392 -0.818 . . . . 0.0 109.398 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.476 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.8 t -60.1 -41.25 92.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.476 ' N ' HG23 ' C' ' 5' ' ' THR . 59.2 tp -59.98 -43.99 94.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.227 -0.921 . . . . 0.0 108.559 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.31 -39.87 88.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.591 -0.693 . . . . 0.0 109.625 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.63 92.36 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.43 -44.71 89.74 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.25 -46.93 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.535 -0.979 . . . . 0.0 109.217 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.88 -47.26 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.78 -38.59 85.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.463 -0.773 . . . . 0.0 109.359 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -59.84 -41.78 92.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.306 -0.871 . . . . 0.0 109.386 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.22 -40.03 96.31 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.921 -1.112 . . . . 0.0 109.11 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.47 -40.31 90.75 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.247 -0.908 . . . . 0.0 109.7 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -66.53 -40.06 88.94 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.0 109.605 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt -63.4 -41.58 98.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.471 ' CD2' HE21 ' C' ' 108' ' ' GLN . 50.9 tp -60.24 -43.63 95.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.407 -0.808 . . . . 0.0 109.398 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.86 -44.5 94.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.916 . . . . 0.0 109.939 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.58 -40.28 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.138 -0.976 . . . . 0.0 109.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.12 -41.88 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.201 -0.937 . . . . 0.0 108.82 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.15 -40.79 95.17 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-O 121.362 0.601 . . . . 0.0 109.558 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.7 ' NH1' HD22 ' A' ' 99' ' ' ASN . 31.2 mmt180 -60.08 -40.11 88.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.392 -0.818 . . . . 0.0 109.165 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.1 -39.88 87.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.353 -0.842 . . . . 0.0 109.147 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.11 -48.67 80.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.408 -0.807 . . . . 0.0 109.711 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -64.01 -40.24 95.91 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.609 -1.307 . . . . 0.0 109.419 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -61.24 -41.36 96.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.37 -0.831 . . . . 0.0 109.186 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.47 -40.83 92.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.537 -0.727 . . . . 0.0 109.748 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.441 ' HG2' HH11 ' C' ' 29' ' ' ARG . 42.0 mtt-85 -60.1 -39.91 87.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.051 . . . . 0.0 109.404 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.563 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.3 mt -61.47 -40.11 93.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.945 . . . . 0.0 109.652 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -65.63 -40.39 92.5 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.295 -0.878 . . . . 0.0 109.723 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.56 -40.17 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.201 -0.937 . . . . 0.0 109.062 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -60.11 -42.8 95.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.76 . . . . 0.0 110.263 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.75 -47.32 91.53 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 88.9 m -60.29 -50.03 75.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.309 . . . . 0.0 109.838 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -60.17 -39.26 85.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 109.676 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -59.93 -40.04 87.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.025 . . . . 0.0 109.284 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.14 -40.08 88.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.973 -1.079 . . . . 0.0 108.874 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.12 -40.05 88.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.119 -0.988 . . . . 0.0 109.378 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -60.19 -40.23 89.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.767 -1.208 . . . . 0.0 108.649 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.684 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.6 mtt-85 -67.52 -39.79 85.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 108.673 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -41.05 84.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.275 -0.89 . . . . 0.0 108.669 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 71.8 p -60.05 -40.75 90.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.814 -1.179 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.07 96.23 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.94 -40.28 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.726 -0.609 . . . . 0.0 110.258 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.564 ' CD ' ' HB1' ' C' ' 75' ' ' ALA . 12.8 mm-40 -60.08 -39.93 87.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.114 -0.991 . . . . 0.0 108.999 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -62.21 -42.49 99.34 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.902 . . . . 0.0 110.394 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.567 ' CE1' ' O ' ' A' ' 74' ' ' ASN . 63.6 m-85 -67.46 -38.48 84.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.002 -1.061 . . . . 0.0 109.665 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' C' ' 75' ' ' ALA . 84.2 mt -60.1 -39.45 86.21 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.77 -1.206 . . . . 0.0 108.358 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.98 -38.48 82.66 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.428 -1.42 . . . . 0.0 107.968 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -63.41 -26.6 68.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.665 ' NE2' HD21 ' C' ' 74' ' ' ASN . 6.4 tt0 -59.95 -43.4 95.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.98 79.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.86 -40.08 87.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.461 -0.775 . . . . 0.0 109.919 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -80.15 112.7 17.72 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.814 -1.179 . . . . 0.0 109.114 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 24.5 m120 -133.23 -72.25 0.51 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.866 . . . . 0.0 109.111 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 94.22 2.28 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -112.51 144.86 41.27 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.494 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 64.39 0.87 5.07 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -73.69 24.92 0.07 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.433 -1.039 . . . . 0.0 108.97 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.05 112.08 3.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.917 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.415 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 34.4 m-85 -113.95 11.75 17.89 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.73 -0.606 . . . . 0.0 110.592 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.415 ' HB3' HH22 ' A' ' 63' ' ' ARG . 10.7 ptp180 -120.67 21.6 11.46 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -143.9 151.19 39.5 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -107.2 58.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.063 -1.023 . . . . 0.0 108.505 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.76 157.92 42.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.603 -0.686 . . . . 0.0 109.847 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -127.2 133.37 50.29 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.434 ' O ' HG23 ' C' ' 68' ' ' THR . 5.2 t -98.36 119.85 37.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.231 -0.918 . . . . 0.0 111.125 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.576 ' O ' HG23 ' C' ' 69' ' ' THR . 10.1 t -116.79 119.04 34.17 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 85.1 t -122.03 93.01 48.8 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.9 62.62 4.35 Favored 'Trans proline' 0 C--N 1.314 -1.252 0 C-N-CA 122.41 2.073 . . . . 0.0 112.452 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.7 t90 -69.97 130.47 89.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 108.771 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' C' ' 72' ' ' TRP . 95.1 Cg_exo -38.32 147.59 0.11 Allowed 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 121.35 1.367 . . . . 0.0 112.112 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.665 HD21 ' NE2' ' C' ' 52' ' ' GLN . 65.3 t30 -130.49 -59.26 1.03 Allowed 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . 0.564 ' HB1' ' CD ' ' C' ' 46' ' ' GLU . . . -86.49 123.86 32.17 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -82.64 109.61 16.97 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 118.853 -1.139 . . . . 0.0 107.947 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 39.4 mt -81.02 136.12 35.94 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.573 0.702 . . . . 0.0 109.424 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' C' ' 78' ' ' THR . 12.7 t -92.77 113.14 58.78 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 109.214 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -94.2 -48.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.02 0 C-N-CA 121.555 1.503 . . . . 0.0 114.548 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -121.23 -44.51 2.38 Favored 'General case' 0 N--CA 1.507 2.413 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.5 p90 -59.86 -50.12 75.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.117 -1.614 . . . . 0.0 112.472 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.712 ' ND2' HH21 ' B' ' 41' ' ' ARG . 62.1 t30 -71.03 -40.46 71.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.041 -1.662 . . . . 0.0 110.681 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.043 -1.036 . . . . 0.0 110.262 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.997 -1.064 . . . . 0.0 109.009 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.402 HG23 ' O ' ' C' ' 81' ' ' TRP . 81.5 p -69.99 -39.97 75.6 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.261 -0.899 . . . . 0.0 110.069 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.426 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 43.6 t-105 -67.45 -39.92 85.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.884 -1.135 . . . . 0.0 109.206 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -60.19 -40.05 88.64 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.681 -1.262 . . . . 0.0 108.606 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.87 -40.85 96.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 108.443 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.505 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 60.3 t90 -60.18 -49.88 75.87 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.36 -0.838 . . . . 0.0 109.1 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -62.24 -41.97 98.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.393 -0.817 . . . . 0.0 109.229 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.905 . . . . 0.0 110.237 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.09 -41.26 92.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.92 -40.81 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 108.596 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.75 -44.29 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.499 -0.751 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -67.21 -40.04 86.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.812 -1.18 . . . . 0.0 109.604 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.93 -40.13 83.4 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.968 -1.082 . . . . 0.0 108.941 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.33 -49.21 78.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.314 -0.866 . . . . 0.0 109.121 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.13 -42.33 98.35 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.358 -0.839 . . . . 0.0 109.528 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.67 HD22 ' NH1' ' B' ' 23' ' ' ARG . 96.7 m-20 -61.96 -40.53 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.73 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.193 -0.942 . . . . 0.0 109.324 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 70.2 p -62.14 -41.79 98.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.117 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.48 81.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.332 -0.855 . . . . 0.0 109.171 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.05 -47.34 86.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.496 -0.753 . . . . 0.0 109.529 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' C' ' 18' ' ' LEU . 85.1 mt -59.97 -41.96 93.12 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.225 -0.922 . . . . 0.0 109.354 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 -48.78 80.26 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.187 -0.946 . . . . 0.0 109.288 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.56 -41.94 95.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.429 -0.795 . . . . 0.0 109.305 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.94 94.6 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.374 -0.829 . . . . 0.0 109.296 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.471 HE21 ' CD2' ' C' ' 18' ' ' LEU . 47.3 mm-40 -60.05 -46.61 88.95 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.129 . . . . 0.0 109.502 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.21 -49.7 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.203 -0.935 . . . . 0.0 109.518 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -68.56 -40.23 80.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.254 -0.903 . . . . 0.0 109.79 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -60.08 -49.19 78.61 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.155 -0.966 . . . . 0.0 109.326 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.27 -41.08 98.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.911 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -62.87 -39.99 96.12 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.552 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -67.66 -40.24 84.51 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.887 -1.133 . . . . 0.0 109.502 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.8 -40.06 76.2 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 108.617 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -59.88 -48.61 80.99 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -40.33 92.24 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.221 -0.925 . . . . 0.0 109.434 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.04 -41.71 92.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.397 -0.814 . . . . 0.0 109.87 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' C' ' 123' ' ' SER . 78.1 mt-30 -61.18 -42.35 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.063 -1.023 . . . . 0.0 109.844 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.251 -0.906 . . . . 0.0 109.463 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.469 HD13 ' NH1' ' C' ' 4' ' ' ARG . 97.6 mt -59.82 -48.96 79.59 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -116.56 58.99 0.75 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.5 p . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 93.1 mt-30 -70.37 144.75 51.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 109.037 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -89.65 60.67 5.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.069 -1.019 . . . . 0.0 109.194 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -64.01 -39.99 95.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.43 -0.794 . . . . 0.0 109.284 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 5.0 t -59.94 -42.78 94.75 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.497 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 62.6 tp -66.51 -40.87 89.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.056 -1.028 . . . . 0.0 109.28 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.18 -39.76 87.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.475 -0.765 . . . . 0.0 109.814 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.0 86.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.124 -0.985 . . . . 0.0 108.644 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.07 43.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.0 -47.73 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.206 -1.173 . . . . 0.0 109.765 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.03 -41.99 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 108.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' HE22 ' B' ' 110' ' ' GLN . 60.3 tt0 -61.73 -40.3 94.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.602 -0.686 . . . . 0.0 109.589 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.05 -41.62 92.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.23 -40.99 92.15 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.124 -0.985 . . . . 0.0 108.915 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.73 -42.5 97.41 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.447 -0.783 . . . . 0.0 109.239 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -64.48 -41.19 96.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.279 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.21 -43.58 98.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.102 -0.999 . . . . 0.0 109.04 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.05 -43.74 95.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.309 -0.87 . . . . 0.0 109.064 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 58.6 t0 -60.09 -44.97 94.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 109.544 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.09 -39.94 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.233 -0.917 . . . . 0.0 109.372 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -40.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 108.791 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.0 -43.05 95.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.662 -0.649 . . . . 0.0 109.807 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' NH1' ' OD1' ' A' ' 19' ' ' ASP . 11.0 mpt_? -60.06 -40.96 91.27 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.165 -0.96 . . . . 0.0 109.348 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.26 -39.94 88.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.967 -1.083 . . . . 0.0 109.262 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.03 -47.77 84.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 108.974 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.8 -41.99 99.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.15 -40.57 97.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.329 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.16 -40.56 90.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.416 -0.803 . . . . 0.0 109.658 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.7 -40.42 92.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.134 -0.978 . . . . 0.0 109.917 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.5 mt -62.75 -40.09 96.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.044 -1.035 . . . . 0.0 109.616 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.1 p -63.65 -40.02 95.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.079 -1.013 . . . . 0.0 109.906 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.21 -40.0 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.281 -0.887 . . . . 0.0 109.136 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -59.98 -43.4 95.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -0.8 . . . . 0.0 110.19 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.28 80.34 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 119.645 -1.264 . . . . 0.0 110.233 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.7 m -60.05 -49.98 75.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -1.213 . . . . 0.0 109.949 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.02 -40.12 88.21 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.236 -0.915 . . . . 0.0 109.744 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.796 HD21 HH21 ' A' ' 41' ' ' ARG . 41.1 t30 -59.92 -41.53 91.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.52 -39.97 89.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.024 -1.048 . . . . 0.0 109.382 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.96 -41.29 91.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.194 -0.941 . . . . 0.0 109.961 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.761 -1.212 . . . . 0.0 108.116 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.796 HH21 HD21 ' A' ' 37' ' ' ASN . 31.9 mtt-85 -63.68 -40.01 95.75 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -40.15 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.453 -0.779 . . . . 0.0 109.303 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.8 p -60.06 -39.92 87.68 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.989 -1.07 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.98 85.71 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.784 -1.197 . . . . 0.0 109.709 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.77 -41.06 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.243 -0.91 . . . . 0.0 111.248 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.57 -39.06 92.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.597 -1.314 . . . . 0.0 108.444 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.03 -45.15 93.75 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.185 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 49.8 m-85 -65.53 -39.41 91.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.0 -1.062 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.88 -38.51 82.4 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.06 -39.9 87.6 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.05 -39.09 84.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.37 -0.831 . . . . 0.0 109.349 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.688 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.8 OUTLIER -59.95 -39.96 87.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.15 . . . . 0.0 109.102 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.755 -1.216 . . . . 0.0 108.161 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -59.93 -39.74 86.52 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.848 . . . . 0.0 108.963 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -69.46 118.48 12.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.044 -1.035 . . . . 0.0 108.756 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.535 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 32.6 m120 -133.63 -64.75 0.7 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.287 -0.883 . . . . 0.0 110.33 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.61 118.03 4.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -0.96 . . . . 0.0 110.01 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.785 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.7 m95 -100.76 129.57 46.67 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.453 -0.779 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 63.73 21.77 65.51 Favored Glycine 0 N--CA 1.489 2.189 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.652 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -76.72 23.45 0.16 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.598 -1.53 . . . . 0.0 108.688 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -158.22 111.24 2.39 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.443 -0.786 . . . . 0.0 109.202 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CD2' ' NE2' ' B' ' 64' ' ' GLN . 34.1 m-85 -121.38 11.59 10.74 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.368 -0.832 . . . . 0.0 110.358 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.74 25.16 2.18 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.449 ' NE2' ' CD2' ' C' ' 62' ' ' PHE . 31.6 mt-30 -143.66 152.62 41.57 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -101.75 57.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.0 108.622 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.04 158.14 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.513 -0.742 . . . . 0.0 110.019 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.48 133.61 47.37 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -90.35 112.93 24.69 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.56 -1.337 . . . . 0.0 110.179 -178.51 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 69' ' ' THR . 10.1 t -112.69 122.0 46.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.535 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 70.0 t -125.44 84.32 60.19 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.581 -0.699 . . . . 0.0 109.582 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.56 63.53 6.59 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.498 2.132 . . . . 0.0 110.881 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' PRO . 25.4 t90 -67.18 133.86 93.51 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.476 -0.765 . . . . 0.0 109.094 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' TRP . 79.4 Cg_exo -38.8 149.19 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.662 1.575 . . . . 0.0 111.042 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.703 HD21 ' NE2' ' C' ' 52' ' ' GLN . 0.2 OUTLIER -130.3 -60.62 1.0 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.232 -0.917 . . . . 0.0 109.441 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.54 124.59 36.68 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.268 -0.895 . . . . 0.0 108.897 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.41 108.08 14.72 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.88 135.83 36.53 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.766 0.793 . . . . 0.0 110.33 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 78' ' ' THR . 6.7 t -90.26 115.21 63.53 Favored Pre-proline 0 N--CA 1.49 1.565 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -92.21 -47.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.691 1.594 . . . . 0.0 113.615 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.12 -44.27 2.29 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.19 93.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.325 -1.485 . . . . 0.0 113.272 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.566 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -76.31 -50.06 15.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.213 -1.555 . . . . 0.0 110.773 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.9 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.058 -1.026 . . . . 0.0 110.223 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.874 -1.141 . . . . 0.0 109.411 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 81' ' ' TRP . 60.7 p -68.89 -40.02 79.42 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.209 -0.932 . . . . 0.0 109.706 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -66.84 -39.91 87.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 109.189 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.0 -41.78 92.82 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.966 -1.084 . . . . 0.0 108.358 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -61.35 -41.54 97.24 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.951 . . . . 0.0 108.912 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.527 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 69.3 t90 -59.96 -49.92 75.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.396 -0.815 . . . . 0.0 109.752 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.08 -41.42 96.63 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.104 -0.998 . . . . 0.0 109.526 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.87 -40.86 96.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.99 -1.069 . . . . 0.0 110.444 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.21 -40.62 90.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.9 -1.125 . . . . 0.0 109.76 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.21 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.101 -0.999 . . . . 0.0 108.94 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.9 -47.62 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.432 -0.793 . . . . 0.0 110.201 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -61.69 -40.89 96.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.012 -1.055 . . . . 0.0 109.709 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.41 -40.25 81.33 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.181 -0.949 . . . . 0.0 109.151 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.66 -45.04 95.71 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.219 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.68 -40.46 96.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.26 -0.9 . . . . 0.0 109.446 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.91 -41.76 95.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.248 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.91 -48.03 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.329 -0.857 . . . . 0.0 109.366 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.1 p -59.98 -42.64 94.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.0 109.418 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.05 75.25 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.284 -0.885 . . . . 0.0 109.34 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.41 -44.27 97.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.234 -0.916 . . . . 0.0 109.396 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.8 -42.02 96.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.4 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.97 -50.05 75.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.136 -0.977 . . . . 0.0 109.602 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.73 -42.8 98.04 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.282 -0.886 . . . . 0.0 109.254 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.18 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.387 -0.82 . . . . 0.0 109.754 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.96 -46.27 89.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.616 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.01 -49.15 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.235 -0.916 . . . . 0.0 109.303 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.403 HE22 ' HB3' ' C' ' 12' ' ' GLN . 62.4 tt0 -68.56 -39.98 80.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.196 -0.94 . . . . 0.0 110.233 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.0 -50.06 75.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.099 -1.0 . . . . 0.0 109.993 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.1 -39.92 96.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.64 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -64.22 -40.73 96.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.196 -0.94 . . . . 0.0 109.825 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.82 -44.89 95.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.968 -1.082 . . . . 0.0 109.432 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.19 -41.18 94.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.226 -0.921 . . . . 0.0 109.016 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.95 -49.39 77.86 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.0 109.683 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.76 -40.03 90.98 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.171 -0.955 . . . . 0.0 109.458 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.84 -41.62 96.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.306 -0.871 . . . . 0.0 109.494 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.9 mt-30 -60.05 -41.2 91.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.173 -0.954 . . . . 0.0 109.816 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.19 -40.05 88.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.116 -0.99 . . . . 0.0 108.959 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.94 -48.17 82.8 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -116.75 57.89 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.496 1.836 0 O-C-N 120.996 -1.065 . . . . 0.0 109.059 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 93.0 mt-30 -70.1 144.79 52.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.234 -0.916 . . . . 0.0 109.233 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -89.74 60.77 5.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.194 -0.941 . . . . 0.0 109.078 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.06 -40.0 95.31 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.536 -0.728 . . . . 0.0 109.203 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.0 t -59.99 -42.77 94.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.194 -0.941 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 5' ' ' THR . 62.7 tp -66.44 -40.77 89.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.96 -1.087 . . . . 0.0 109.254 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.27 -39.94 88.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.509 -0.745 . . . . 0.0 109.832 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.02 85.05 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.018 -1.051 . . . . 0.0 108.634 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.11 -50.0 43.03 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.04 -47.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -1.182 . . . . 0.0 109.814 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.06 -41.89 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 108.22 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.87 -40.17 94.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.59 -0.694 . . . . 0.0 109.668 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.05 -41.71 92.9 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.544 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.36 -41.05 92.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.46 -42.69 96.7 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.379 -0.826 . . . . 0.0 109.152 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -64.4 -41.03 96.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.388 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.49 -43.47 98.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 108.976 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.1 -43.75 95.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.852 . . . . 0.0 109.002 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 58.3 t0 -60.03 -45.06 94.04 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.283 -0.886 . . . . 0.0 109.702 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.03 -39.96 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.223 -0.923 . . . . 0.0 109.294 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.0 -40.61 83.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.188 -0.945 . . . . 0.0 108.801 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -60.02 -42.91 95.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.612 -0.68 . . . . 0.0 109.671 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 11.1 mpt_? -60.1 -40.87 91.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.304 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.38 -39.98 89.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.972 -1.08 . . . . 0.0 109.347 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.13 -47.74 84.62 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -62.75 -41.98 99.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.39 -40.26 96.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.297 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.37 -40.45 90.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.382 -0.824 . . . . 0.0 109.654 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.76 -40.43 92.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.017 -1.052 . . . . 0.0 109.952 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.507 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 89.0 mt -62.84 -39.97 96.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.05 -1.031 . . . . 0.0 109.628 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -63.49 -40.06 96.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.091 -1.006 . . . . 0.0 109.922 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.19 -40.03 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 109.181 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -59.94 -43.43 94.96 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 110.113 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.44 78.56 Favored Glycine 0 N--CA 1.487 2.069 0 C-N-CA 119.668 -1.253 . . . . 0.0 110.223 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 90.3 m -60.01 -49.91 75.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.171 -1.194 . . . . 0.0 110.0 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.22 -40.01 88.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 0.0 109.722 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.802 HD21 HH21 ' B' ' 41' ' ' ARG . 41.2 t30 -59.95 -41.51 92.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.886 . . . . 0.0 109.794 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.45 -40.02 89.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.061 -1.024 . . . . 0.0 109.434 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.03 -41.36 92.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.144 -0.973 . . . . 0.0 109.897 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -59.99 -40.29 88.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.665 -1.272 . . . . 0.0 108.114 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.802 HH21 HD21 ' B' ' 37' ' ' ASN . 32.3 mtt-85 -63.77 -39.99 95.6 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.13 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.431 -0.793 . . . . 0.0 109.305 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 79.2 p -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.977 -1.077 . . . . 0.0 109.021 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.94 85.99 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.768 -1.207 . . . . 0.0 109.693 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.82 -40.95 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.225 -0.922 . . . . 0.0 111.255 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.88 -38.8 92.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.527 -1.358 . . . . 0.0 108.45 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -60.07 -45.09 94.06 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.167 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 49.2 m-85 -65.57 -39.53 91.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.983 -1.073 . . . . 0.0 109.971 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 53.5 mt -59.76 -38.59 82.2 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.03 -1.044 . . . . 0.0 108.781 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.03 -39.94 87.62 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.04 -39.12 84.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.391 -0.818 . . . . 0.0 109.342 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.685 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.8 OUTLIER -59.8 -40.11 87.26 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.855 -1.153 . . . . 0.0 109.067 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -39.29 84.02 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.819 -1.176 . . . . 0.0 108.16 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.05 -39.75 87.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.379 -0.825 . . . . 0.0 108.852 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 118.54 12.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.961 -1.087 . . . . 0.0 108.778 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 32.8 m120 -133.65 -64.65 0.7 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.35 -0.844 . . . . 0.0 110.321 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.785 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.57 117.99 4.55 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.256 -0.902 . . . . 0.0 110.036 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.791 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.5 m95 -100.72 129.63 46.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.297 -0.877 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 63.71 21.9 65.61 Favored Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.926 -1.13 . . . . 0.0 110.667 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -76.77 23.44 0.17 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.489 -1.595 . . . . 0.0 108.685 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -158.13 111.46 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.442 -0.786 . . . . 0.0 109.252 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.448 ' CD2' ' NE2' ' C' ' 64' ' ' GLN . 34.3 m-85 -121.69 11.49 10.51 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 121.374 -0.829 . . . . 0.0 110.411 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.73 25.3 2.17 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.426 ' NE2' ' CD2' ' A' ' 62' ' ' PHE . 31.7 mt-30 -143.88 152.79 41.6 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 t -102.01 57.27 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.03 -1.044 . . . . 0.0 108.619 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.89 158.31 40.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.511 -0.743 . . . . 0.0 110.027 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.64 133.54 47.18 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.425 HG22 ' H ' ' B' ' 68' ' ' THR . 0.0 OUTLIER -90.39 112.96 24.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.603 -1.31 . . . . 0.0 110.012 -178.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.525 ' O ' HG23 ' B' ' 69' ' ' THR . 10.0 t -112.86 122.01 46.38 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.529 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 67.1 t -125.28 84.44 59.67 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.485 -0.759 . . . . 0.0 109.7 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.78 63.58 6.41 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.566 2.177 . . . . 0.0 110.958 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' B' ' 73' ' ' PRO . 25.3 t90 -67.22 133.95 93.43 Favored Pre-proline 0 N--CA 1.487 1.408 0 O-C-N 121.535 -0.728 . . . . 0.0 109.091 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' B' ' 72' ' ' TRP . 80.7 Cg_exo -39.02 149.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 121.657 1.571 . . . . 0.0 110.926 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.688 HD21 ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -130.2 -60.45 1.01 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.287 -0.883 . . . . 0.0 109.48 -179.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 124.6 36.72 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.195 -0.941 . . . . 0.0 108.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.4 107.74 14.43 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -79.59 135.92 36.72 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.779 0.8 . . . . 0.0 110.253 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.558 ' O ' HG23 ' B' ' 78' ' ' THR . 6.6 t -90.3 115.31 63.77 Favored Pre-proline 0 N--CA 1.491 1.617 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -92.3 -46.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 121.678 1.585 . . . . 0.0 113.715 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -122.17 -44.33 2.28 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -60.06 -45.05 94.16 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.363 -1.461 . . . . 0.0 113.142 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.577 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -76.58 -49.95 15.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.186 -1.571 . . . . 0.0 110.837 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.0 -49.99 75.51 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.029 -1.044 . . . . 0.0 110.175 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.01 -47.07 87.36 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.863 -1.148 . . . . 0.0 109.408 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 81' ' ' TRP . 60.1 p -68.91 -39.92 79.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.236 -0.915 . . . . 0.0 109.625 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -66.68 -40.02 88.39 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.866 -1.146 . . . . 0.0 109.208 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.08 -41.75 93.12 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.882 -1.136 . . . . 0.0 108.345 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.45 -41.52 97.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.96 . . . . 0.0 108.902 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.502 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 69.3 t90 -60.02 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.61 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -60.84 -41.78 96.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.073 -1.017 . . . . 0.0 109.449 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.65 -40.85 96.36 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.125 -0.985 . . . . 0.0 110.469 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.3 -40.7 91.46 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.857 -1.152 . . . . 0.0 109.688 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.12 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.147 -0.97 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -59.94 -47.61 85.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.461 -0.774 . . . . 0.0 110.192 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -61.67 -41.12 97.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.952 -1.092 . . . . 0.0 109.667 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.18 -40.54 82.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.177 -0.952 . . . . 0.0 109.104 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.23 -45.64 93.72 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.193 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -63.12 -41.0 99.25 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.18 -42.29 96.75 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.187 -0.946 . . . . 0.0 109.192 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.66 -47.79 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.353 -0.842 . . . . 0.0 109.379 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 38.5 p -60.33 -42.39 95.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.095 -1.003 . . . . 0.0 109.462 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.98 75.45 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.367 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.41 -44.01 97.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.321 -0.862 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.1 -41.88 97.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.08 -49.98 75.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.149 -0.969 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.89 -42.52 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.179 -0.951 . . . . 0.0 109.299 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.99 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.32 -0.863 . . . . 0.0 109.797 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.93 -46.21 90.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.142 -0.974 . . . . 0.0 109.572 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.1 -49.04 85.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.184 -0.948 . . . . 0.0 109.306 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.426 HE22 ' HB3' ' A' ' 12' ' ' GLN . 62.4 tt0 -68.67 -40.05 80.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.128 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.06 -49.93 75.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.006 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.08 -40.04 96.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.122 -0.986 . . . . 0.0 109.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -64.27 -40.46 96.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.855 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.29 -44.22 97.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.953 -1.092 . . . . 0.0 109.431 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 55.3 ttp -65.83 -40.98 92.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.241 -0.912 . . . . 0.0 109.014 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -59.95 -49.34 78.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.38 -0.825 . . . . 0.0 109.798 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.96 91.36 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.266 -0.896 . . . . 0.0 109.543 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.62 -41.78 95.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.889 . . . . 0.0 109.485 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.8 mt-30 -60.03 -41.21 91.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -60.2 -39.95 88.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.24 -0.913 . . . . 0.0 108.938 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.04 -48.25 82.48 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -116.67 57.81 0.77 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.485 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 m . . . . . 0 N--CA 1.497 1.889 0 O-C-N 120.984 -1.073 . . . . 0.0 109.054 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -70.01 144.59 52.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.229 -0.92 . . . . 0.0 109.14 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -89.39 60.63 5.31 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.161 -0.962 . . . . 0.0 109.213 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -64.03 -39.97 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 109.262 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.498 HG23 ' N ' ' C' ' 6' ' ' LEU . 4.9 t -60.03 -42.82 95.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.268 -0.895 . . . . 0.0 109.43 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.498 ' N ' HG23 ' C' ' 5' ' ' THR . 61.8 tp -66.29 -40.98 90.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.009 -1.057 . . . . 0.0 109.271 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.23 -39.71 87.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.541 -0.724 . . . . 0.0 109.892 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.96 86.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.064 -1.022 . . . . 0.0 108.638 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.0 -50.02 43.58 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.97 -47.79 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.254 -1.144 . . . . 0.0 109.804 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.93 -42.09 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.932 -1.105 . . . . 0.0 108.259 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.403 ' HB3' HE22 ' A' ' 110' ' ' GLN . 60.4 tt0 -61.49 -40.44 94.59 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.584 -0.698 . . . . 0.0 109.654 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.01 -41.57 92.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -0.858 . . . . 0.0 109.672 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -60.27 -40.88 91.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.069 -1.019 . . . . 0.0 108.929 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.87 -42.48 97.96 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.481 -0.762 . . . . 0.0 109.117 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.401 ' O ' HG23 ' C' ' 20' ' ' VAL . 28.7 mt-30 -64.46 -41.02 96.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.181 -0.949 . . . . 0.0 109.372 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.59 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.133 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.0 -43.8 94.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.355 -0.841 . . . . 0.0 109.014 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 58.4 t0 -59.99 -45.06 93.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.282 -0.886 . . . . 0.0 109.637 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 16' ' ' GLN . 89.9 t -60.0 -40.09 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.859 . . . . 0.0 109.339 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.99 -40.57 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.293 -0.88 . . . . 0.0 108.756 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -60.05 -43.02 95.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.625 -0.672 . . . . 0.0 109.714 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 11.0 mpt_? -60.08 -41.05 91.61 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.085 -1.009 . . . . 0.0 109.263 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.2 -40.05 88.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.013 -1.054 . . . . 0.0 109.272 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.06 -47.85 84.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.348 -0.845 . . . . 0.0 108.989 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -62.75 -41.78 99.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.323 -0.861 . . . . 0.0 109.643 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.52 -40.26 96.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.183 -0.948 . . . . 0.0 109.28 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.23 -40.8 91.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.329 -0.857 . . . . 0.0 109.618 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.48 -40.63 91.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 109.947 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.527 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 89.8 mt -62.55 -40.09 95.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 0.0 109.662 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.5 p -63.52 -40.0 95.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -0.958 . . . . 0.0 110.014 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.27 -39.95 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -60.0 -43.49 95.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 110.139 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -49.45 78.41 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.281 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.163 -1.198 . . . . 0.0 110.015 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -60.24 -40.03 88.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.154 -0.966 . . . . 0.0 109.678 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.786 HD21 HH21 ' C' ' 41' ' ' ARG . 40.9 t30 -60.0 -41.3 91.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 0.0 109.773 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.66 -40.04 90.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.998 -1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.01 -41.22 91.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.15 -0.969 . . . . 0.0 109.908 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 30.8 p -60.08 -40.23 88.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.728 -1.232 . . . . 0.0 108.152 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.786 HH21 HD21 ' C' ' 37' ' ' ASN . 31.5 mtt-85 -63.89 -40.02 95.54 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.1 -40.18 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.393 -0.817 . . . . 0.0 109.166 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -60.01 -40.0 87.71 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.037 -1.039 . . . . 0.0 109.053 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.04 86.88 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.632 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.77 -40.96 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.252 -0.905 . . . . 0.0 111.304 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.401 ' H ' ' HG2' ' C' ' 46' ' ' GLU . 8.3 pt-20 -62.91 -38.82 92.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.579 -1.326 . . . . 0.0 108.452 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.03 -45.07 94.02 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.234 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.561 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 49.2 m-85 -65.8 -39.3 90.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.09 -1.006 . . . . 0.0 110.015 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.84 -38.56 82.39 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.98 -39.98 87.59 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.03 -39.17 84.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.423 -0.798 . . . . 0.0 109.326 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.703 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.813 -1.179 . . . . 0.0 109.109 -179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.42 84.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.768 -1.207 . . . . 0.0 108.115 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.91 -39.76 86.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.0 108.86 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 mt -69.55 118.54 12.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 108.8 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 32.7 m120 -133.54 -64.5 0.71 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.394 -0.816 . . . . 0.0 110.43 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.791 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.79 117.88 4.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.105 -0.997 . . . . 0.0 110.008 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.816 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 89.0 m95 -100.59 129.6 46.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.331 -0.856 . . . . 0.0 110.109 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 63.8 21.8 65.67 Favored Glycine 0 N--CA 1.488 2.144 0 C-N-CA 119.983 -1.104 . . . . 0.0 110.682 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.465 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.8 23.63 0.16 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.583 -1.539 . . . . 0.0 108.708 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -158.27 111.06 2.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.424 -0.797 . . . . 0.0 109.229 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.449 ' CD2' ' NE2' ' A' ' 64' ' ' GLN . 34.6 m-85 -121.34 11.54 10.76 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.323 -0.86 . . . . 0.0 110.418 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -140.86 25.2 2.15 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' B' ' 62' ' ' PHE . 31.5 mt-30 -143.84 152.61 41.39 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -101.9 57.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.99 -1.069 . . . . 0.0 108.611 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.23 40.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.521 -0.737 . . . . 0.0 109.906 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -129.66 133.47 47.12 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.408 ' H ' HG22 ' C' ' 68' ' ' THR . 0.0 OUTLIER -90.17 113.02 24.72 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.643 -1.286 . . . . 0.0 110.272 -178.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.512 ' O ' HG23 ' C' ' 69' ' ' THR . 9.9 t -112.84 122.02 46.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.54 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 67.5 t -125.52 84.3 60.42 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.526 -0.734 . . . . 0.0 109.614 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.5 63.46 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.565 2.176 . . . . 0.0 110.836 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.7 t90 -67.12 134.0 93.64 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.97 149.43 0.09 OUTLIER 'Trans proline' 0 N--CA 1.487 1.136 0 C-N-CA 121.734 1.623 . . . . 0.0 110.944 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.685 HD21 ' NE2' ' B' ' 52' ' ' GLN . 0.2 OUTLIER -130.38 -60.59 1.0 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.246 -0.908 . . . . 0.0 109.413 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.24 124.48 36.34 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.409 -0.807 . . . . 0.0 108.974 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p -81.39 107.75 14.43 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -79.66 135.95 36.68 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.806 0.812 . . . . 0.0 110.199 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.557 HG23 ' O ' ' C' ' 78' ' ' THR . 6.7 t -90.54 115.29 63.81 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -92.29 -47.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.034 0 C-N-CA 121.652 1.568 . . . . 0.0 113.617 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -122.18 -44.13 2.29 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.7 p90 -60.36 -44.89 95.14 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.381 -1.45 . . . . 0.0 113.142 -175.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.578 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -76.59 -49.94 15.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.213 -1.554 . . . . 0.0 110.775 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -60.09 -49.94 75.65 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.07 -47.06 87.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.925 -1.109 . . . . 0.0 109.32 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.451 HG23 ' O ' ' C' ' 81' ' ' TRP . 60.0 p -68.94 -39.89 79.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.256 -0.902 . . . . 0.0 109.784 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -66.61 -39.98 88.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.89 -1.131 . . . . 0.0 109.177 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.03 -42.09 93.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.909 -1.119 . . . . 0.0 108.26 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.12 -41.55 96.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.212 -0.93 . . . . 0.0 108.859 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.507 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 69.3 t90 -59.95 -49.99 75.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 109.668 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.14 -41.63 97.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.005 -1.06 . . . . 0.0 109.443 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -40.97 96.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.04 -1.037 . . . . 0.0 110.375 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.27 -40.57 90.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.874 -1.141 . . . . 0.0 109.75 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.03 -40.07 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.146 -0.971 . . . . 0.0 109.003 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.96 -47.58 85.2 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.391 -0.818 . . . . 0.0 110.194 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -61.83 -40.72 96.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.08 . . . . 0.0 109.623 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.47 -40.38 81.03 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.131 -0.981 . . . . 0.0 109.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.54 -45.29 94.82 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.281 -0.887 . . . . 0.0 109.238 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.33 -40.84 98.42 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.311 -0.868 . . . . 0.0 109.48 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.58 -42.23 95.76 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.204 -0.935 . . . . 0.0 109.127 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.46 -48.25 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.283 -0.886 . . . . 0.0 109.327 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -60.06 -42.28 94.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -0.986 . . . . 0.0 109.406 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.93 75.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.26 -0.9 . . . . 0.0 109.363 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.43 -44.08 97.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.502 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.1 -41.78 97.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.145 -0.972 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.157 -0.964 . . . . 0.0 109.591 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.84 -42.66 98.22 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.259 -0.901 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.97 87.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.314 -0.866 . . . . 0.0 109.745 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.0 -46.35 89.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.003 -1.061 . . . . 0.0 109.546 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.07 -49.0 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.299 -0.876 . . . . 0.0 109.316 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -68.72 -40.06 80.13 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.202 -0.936 . . . . 0.0 110.197 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -60.01 -49.87 75.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.031 -1.043 . . . . 0.0 110.036 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.19 -40.04 96.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.993 . . . . 0.0 109.618 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -64.12 -40.45 96.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.832 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.06 -44.52 96.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.004 -1.06 . . . . 0.0 109.47 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 55.0 ttp -65.56 -41.32 93.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.294 -0.879 . . . . 0.0 109.009 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.95 -49.05 79.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.405 -0.809 . . . . 0.0 109.733 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -40.2 92.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.56 -41.64 94.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.281 -0.887 . . . . 0.0 109.434 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.8 mt-30 -60.07 -41.43 92.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.071 -1.018 . . . . 0.0 109.811 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -59.95 -40.06 87.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.97 -48.33 82.16 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -116.64 58.08 0.77 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.479 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 m . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.033 . . . . 0.0 109.054 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.63 144.21 49.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.511 -0.743 . . . . 0.0 109.533 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -89.57 59.64 4.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 108.967 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -64.16 -40.0 95.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.444 -0.785 . . . . 0.0 109.518 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' A' ' 6' ' ' LEU . 8.9 t -60.05 -43.36 95.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.152 -0.968 . . . . 0.0 109.183 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' A' ' 5' ' ' THR . 63.5 tp -63.65 -41.72 98.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 0.0 108.411 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.88 -39.73 92.94 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.698 -0.626 . . . . 0.0 109.656 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.57 91.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.065 -1.022 . . . . 0.0 108.449 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.93 -44.35 68.59 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.11 -50.0 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -1.183 . . . . 0.0 110.541 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.15 -44.33 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 120.807 -1.183 . . . . 0.0 109.211 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.42 -40.0 89.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 0.0 109.794 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.91 -41.04 90.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.094 -1.004 . . . . 0.0 109.497 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.425 HE21 ' HG3' ' C' ' 14' ' ' GLN . 96.9 mt-30 -60.81 -41.61 96.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.047 -1.033 . . . . 0.0 109.379 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -46.03 90.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.409 -0.807 . . . . 0.0 109.515 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.89 -41.9 96.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.302 -0.874 . . . . 0.0 109.761 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.77 -40.46 97.36 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.186 -0.946 . . . . 0.0 109.404 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD11 HD23 ' A' ' 104' ' ' LEU . 63.2 tp -62.67 -41.62 99.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.175 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.98 -48.66 80.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.19 -40.21 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.246 -0.908 . . . . 0.0 109.507 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -43.62 92.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.87 -40.26 94.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.49 -0.756 . . . . 0.0 109.07 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.3 mmt180 -60.68 -40.47 92.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.174 -0.954 . . . . 0.0 109.279 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.78 -39.95 90.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.172 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -60.05 -46.94 87.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.393 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.1 -40.42 94.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.155 -0.965 . . . . 0.0 109.349 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.77 -39.94 94.44 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.436 -0.79 . . . . 0.0 109.198 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.14 -40.33 89.44 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.329 -0.857 . . . . 0.0 109.156 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -40.18 91.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -0.987 . . . . 0.0 109.653 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 92.0 mt -63.25 -40.07 96.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.454 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.46 -40.07 95.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.964 -1.085 . . . . 0.0 109.301 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.72 -40.02 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.466 -0.771 . . . . 0.0 109.061 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -59.97 -43.62 94.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.353 -0.842 . . . . 0.0 110.122 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.97 -47.5 90.39 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -60.19 -50.03 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.071 -1.253 . . . . 0.0 109.835 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -60.69 -40.23 91.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.759 HD21 HH21 ' A' ' 41' ' ' ARG . 46.1 t30 -60.1 -40.17 88.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.106 -0.996 . . . . 0.0 109.688 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.65 -40.06 90.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.9 -41.33 91.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.7 p -60.77 -40.57 93.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.899 -1.126 . . . . 0.0 109.036 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.759 HH21 HD21 ' A' ' 37' ' ' ASN . 33.9 mtt-85 -68.49 -39.98 81.12 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.445 -0.785 . . . . 0.0 109.081 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.98 -41.72 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.356 -0.84 . . . . 0.0 108.885 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.0 p -60.45 -39.93 89.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.069 -1.019 . . . . 0.0 109.301 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.65 94.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.155 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.97 -39.59 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.07 87.49 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.188 -0.945 . . . . 0.0 109.281 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.18 -43.48 95.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 109.378 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 60.5 m-85 -67.06 -40.01 86.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 109.671 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' HD22 ' A' ' 74' ' ' ASN . 82.9 mt -59.99 -39.98 87.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.751 -1.218 . . . . 0.0 108.05 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.61 -34.88 69.74 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.419 -1.426 . . . . 0.0 107.64 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -64.4 -28.24 69.55 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.492 HE22 HD21 ' A' ' 74' ' ' ASN . 6.5 tt0 -57.3 -45.93 83.68 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.94 87.42 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -0.848 . . . . 0.0 109.277 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.48 117.33 16.18 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.137 -0.977 . . . . 0.0 108.861 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.718 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 77.5 m-20 -133.25 -71.1 0.52 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.428 -0.795 . . . . 0.0 110.467 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.615 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.1 117.38 4.21 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 109.56 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.648 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 94.2 m95 -101.14 131.41 47.1 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.318 -0.864 . . . . 0.0 111.181 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 61.55 25.05 64.75 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.85 23.75 0.16 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.607 -1.525 . . . . 0.0 109.431 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -159.18 114.12 2.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.067 -1.021 . . . . 0.0 109.784 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -122.2 11.6 10.16 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.275 -0.891 . . . . 0.0 108.815 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.3 2.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -147.37 152.52 38.31 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 t -101.97 58.86 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.67 158.32 43.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.506 -0.746 . . . . 0.0 109.816 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -129.68 134.09 47.46 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 68' ' ' THR . 7.7 t -89.91 111.53 22.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.694 -1.254 . . . . 0.0 109.109 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.02 43.88 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.718 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 60.9 t -125.78 81.79 65.0 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 121.453 -0.779 . . . . 0.0 109.518 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -85.51 60.12 5.19 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.892 2.394 . . . . 0.0 111.628 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.532 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 29.8 t90 -71.78 131.47 85.88 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.528 -0.732 . . . . 0.0 109.59 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.532 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.0 Cg_exo -40.9 149.81 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 121.415 1.41 . . . . 0.0 110.978 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 2.6 t30 -130.42 -43.5 1.15 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.142 -0.974 . . . . 0.0 109.564 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.35 125.16 39.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.286 -0.884 . . . . 0.0 109.075 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -81.7 108.31 15.14 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.93 134.56 34.66 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.541 0.686 . . . . 0.0 110.165 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 78' ' ' THR . 5.7 t -93.61 113.39 60.17 Favored Pre-proline 0 N--CA 1.495 1.793 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.11 -48.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.575 1.517 . . . . 0.0 113.71 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -121.39 -44.04 2.38 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.7 p90 -60.05 -50.18 74.74 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.306 -1.496 . . . . 0.0 112.806 -175.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 65.2 t30 -70.25 -43.79 69.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.922 -1.737 . . . . 0.0 109.938 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -60.06 -50.12 74.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.424 -0.798 . . . . 0.0 111.104 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.42 -40.17 95.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.86 -1.15 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.9 p -70.14 -39.97 75.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.687 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.479 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 38.1 t-105 -68.26 -39.94 82.08 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 119.124 -1.03 . . . . 0.0 109.35 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.08 -42.03 93.73 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.641 -1.287 . . . . 0.0 108.585 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.14 -42.81 95.63 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -60.03 -49.87 75.97 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.84 -40.03 95.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.109 -0.995 . . . . 0.0 109.37 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -61.18 -42.45 98.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.145 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.01 -43.5 95.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.825 -1.172 . . . . 0.0 108.34 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.01 -41.89 87.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.309 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -60.17 -44.8 94.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.281 -0.887 . . . . 0.0 110.614 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.26 -40.05 86.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.86 -1.15 . . . . 0.0 109.734 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.47 -39.94 81.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.056 -1.028 . . . . 0.0 108.995 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 101' ' ' THR . 86.4 tt0 -60.22 -45.07 94.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.58 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -46.26 90.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 0.0 109.714 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.461 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -60.02 -45.61 92.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.216 -0.928 . . . . 0.0 109.502 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -46.92 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.766 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 97' ' ' GLU . 75.5 p -59.95 -42.47 94.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.913 -1.117 . . . . 0.0 109.103 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -50.0 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.326 -0.859 . . . . 0.0 109.601 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.03 -43.81 95.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.846 . . . . 0.0 109.543 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.446 HD23 HD11 ' A' ' 18' ' ' LEU . 82.7 mt -61.18 -42.71 99.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 0.0 109.535 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.35 -43.49 96.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.14 -0.975 . . . . 0.0 109.55 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -68.16 -39.94 82.47 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.149 -0.969 . . . . 0.0 108.862 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.47 91.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.03 -47.6 85.19 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.051 -1.031 . . . . 0.0 109.37 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.99 -50.01 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.193 -0.942 . . . . 0.0 109.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.43 -40.15 85.47 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.411 -0.805 . . . . 0.0 110.249 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -59.92 -49.73 76.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.916 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 0.5 OUTLIER -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.042 -1.036 . . . . 0.0 109.563 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.2 -39.86 89.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.236 -0.915 . . . . 0.0 109.842 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.1 -40.77 94.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.859 -1.15 . . . . 0.0 109.548 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.04 -40.01 75.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.04 . . . . 0.0 108.891 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.08 -44.18 94.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 0.0 109.19 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.16 -40.1 88.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.028 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.01 -40.1 88.1 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.4 mt-30 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.0 109.686 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.99 -39.97 87.56 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.15 -0.969 . . . . 0.0 109.724 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.95 -47.57 85.26 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -126.56 61.18 1.32 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.081 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.26 144.34 50.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.458 -0.777 . . . . 0.0 109.486 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -89.53 59.68 4.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.95 . . . . 0.0 108.931 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -64.25 -40.04 95.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.381 -0.825 . . . . 0.0 109.531 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.532 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.8 t -60.15 -42.75 95.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.23 -0.919 . . . . 0.0 109.324 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.532 ' N ' HG23 ' B' ' 5' ' ' THR . 63.8 tp -64.49 -41.03 96.7 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.27 -39.82 94.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.641 -0.662 . . . . 0.0 109.597 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.44 92.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.066 -1.021 . . . . 0.0 108.476 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -44.51 69.29 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.2 -49.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.289 -1.124 . . . . 0.0 110.518 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.09 -44.29 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.72 -1.238 . . . . 0.0 109.126 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -60.25 -40.06 88.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.331 -0.856 . . . . 0.0 109.76 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.99 -41.34 91.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.217 -0.927 . . . . 0.0 109.488 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.425 ' HG3' HE21 ' C' ' 14' ' ' GLN . 96.9 mt-30 -60.57 -41.64 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.055 -1.028 . . . . 0.0 109.302 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.07 -45.88 91.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.0 109.411 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.87 -41.85 96.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.91 . . . . 0.0 109.75 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.89 -41.04 99.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.31 -0.869 . . . . 0.0 109.341 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.449 HD11 HD23 ' B' ' 104' ' ' LEU . 62.6 tp -62.14 -41.66 98.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.14 -0.975 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.92 -48.27 82.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.374 -0.829 . . . . 0.0 109.967 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.75 -39.98 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.256 -0.903 . . . . 0.0 109.35 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.11 -43.43 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -62.09 -40.06 94.58 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.544 -0.723 . . . . 0.0 109.063 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.493 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.4 mmt180 -60.92 -40.41 93.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.324 -0.86 . . . . 0.0 109.304 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.7 -39.98 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.32 -0.862 . . . . 0.0 109.192 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -60.02 -47.01 87.59 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.13 -40.33 94.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.079 -1.013 . . . . 0.0 109.332 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.74 -40.05 94.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.383 -0.823 . . . . 0.0 109.115 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.04 -40.33 89.02 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.383 -0.823 . . . . 0.0 109.26 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.79 -40.27 92.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.579 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.544 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.8 mt -63.27 -39.99 96.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.3 p -64.3 -40.02 95.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.982 -1.074 . . . . 0.0 109.299 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.07 -39.96 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.432 -0.792 . . . . 0.0 109.141 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -60.01 -43.36 95.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.382 -0.824 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.93 -47.76 89.03 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -60.04 -49.94 75.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -1.207 . . . . 0.0 109.93 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -60.9 -40.21 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.974 -1.079 . . . . 0.0 109.952 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.78 HD21 HH21 ' B' ' 41' ' ' ARG . 45.6 t30 -60.08 -40.11 88.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 109.581 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.69 -39.95 90.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.16 -0.963 . . . . 0.0 109.821 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.03 -41.29 91.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.474 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' B' ' 43' ' ' THR . 65.7 p -60.64 -40.8 93.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.891 -1.131 . . . . 0.0 109.032 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.78 HH21 HD21 ' B' ' 37' ' ' ASN . 33.1 mtt-85 -68.34 -40.03 81.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.04 -41.76 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.203 -0.935 . . . . 0.0 108.767 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 55.4 p -60.31 -40.03 89.08 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.07 -1.019 . . . . 0.0 109.377 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.69 94.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 0.0 109.12 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.97 -39.54 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.71 -40.07 86.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.273 -0.892 . . . . 0.0 109.264 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -60.37 -43.07 96.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.897 -1.127 . . . . 0.0 109.523 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.578 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 60.4 m-85 -67.48 -40.03 85.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 109.683 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' B' ' 52' ' ' GLN . 83.5 mt -60.01 -39.92 87.46 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.779 -1.201 . . . . 0.0 107.995 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.75 -34.84 69.97 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.452 -1.405 . . . . 0.0 107.644 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -64.36 -28.42 69.68 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.505 HE22 HD21 ' B' ' 74' ' ' ASN . 6.5 tt0 -56.96 -46.02 82.45 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.0 87.81 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.849 . . . . 0.0 109.196 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -74.46 117.23 16.04 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.122 -0.986 . . . . 0.0 108.849 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.69 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 76.2 m-80 -133.08 -70.8 0.53 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.31 -0.869 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.648 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -155.22 117.25 4.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.29 -0.881 . . . . 0.0 109.578 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.64 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 94.0 m95 -101.2 131.57 47.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.29 -0.881 . . . . 0.0 111.16 -179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.58 24.98 64.71 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.97 23.71 0.17 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.651 -1.499 . . . . 0.0 109.456 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -159.08 114.34 2.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.159 -0.963 . . . . 0.0 109.725 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -122.42 11.66 10.01 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.33 -0.856 . . . . 0.0 108.835 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' B' ' 63' ' ' ARG . 24.2 ttt180 -138.31 22.16 2.77 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -147.12 152.59 38.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.055 -1.028 . . . . 0.0 108.235 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 t -101.95 58.73 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.63 158.16 43.11 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.507 -0.746 . . . . 0.0 109.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -129.49 134.09 47.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.574 HG23 ' O ' ' B' ' 68' ' ' THR . 7.8 t -89.9 111.72 22.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.744 -1.222 . . . . 0.0 109.127 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.12 120.94 43.51 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.69 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 61.4 t -125.72 81.75 64.83 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.463 -0.773 . . . . 0.0 109.522 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.55 60.14 5.16 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.888 2.392 . . . . 0.0 111.639 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.529 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 31.1 t90 -71.75 131.4 86.0 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.518 -0.739 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.529 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.4 Cg_exo -40.81 149.76 0.15 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.489 1.46 . . . . 0.0 110.852 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 2.6 t30 -130.37 -43.23 1.16 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.158 -0.964 . . . . 0.0 109.546 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.33 125.18 39.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.842 . . . . 0.0 109.148 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -81.8 108.29 15.22 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -84.04 134.65 34.62 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.613 0.72 . . . . 0.0 110.161 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.567 ' O ' HG23 ' B' ' 78' ' ' THR . 5.8 t -93.62 113.38 60.15 Favored Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.596 -0.69 . . . . 0.0 109.186 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -90.3 -48.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.037 0 C-N-CA 121.506 1.471 . . . . 0.0 113.716 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -121.38 -44.26 2.37 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.01 -50.1 75.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.25 -1.531 . . . . 0.0 112.896 -175.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.637 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.3 t30 -70.41 -43.75 69.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 119.937 -1.727 . . . . 0.0 109.914 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.96 -50.04 75.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.231 -0.918 . . . . 0.0 110.98 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.61 -40.24 95.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.806 -1.184 . . . . 0.0 109.969 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 40.2 p -70.06 -39.95 75.35 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.16 -0.963 . . . . 0.0 109.765 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.489 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 37.3 t-105 -68.08 -40.05 82.75 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.074 -1.016 . . . . 0.0 109.353 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.02 -42.16 93.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.732 -1.23 . . . . 0.0 108.531 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -42.86 95.56 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.1 t90 -59.96 -50.0 75.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.479 -0.763 . . . . 0.0 109.102 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.76 -40.27 96.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.309 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -60.75 -42.69 97.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.18 -0.95 . . . . 0.0 110.28 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.04 -43.36 95.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.904 -1.123 . . . . 0.0 108.406 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.06 -41.8 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.236 -0.915 . . . . 0.0 109.322 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -60.12 -44.84 94.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.462 -0.774 . . . . 0.0 110.633 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -67.3 -40.02 86.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.799 -1.188 . . . . 0.0 109.693 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.37 -40.11 81.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.058 -1.026 . . . . 0.0 109.008 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.15 -45.31 93.5 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 109.582 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -46.01 90.87 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.211 -0.931 . . . . 0.0 109.704 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.7 t-20 -59.9 -45.89 91.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 109.541 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -46.85 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.197 -0.94 . . . . 0.0 109.82 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 75.9 p -59.95 -42.33 93.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.058 -1.026 . . . . 0.0 109.134 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -49.95 75.43 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.607 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.09 -43.64 95.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.601 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.449 HD23 HD11 ' B' ' 18' ' ' LEU . 83.2 mt -61.29 -42.98 99.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.17 -0.956 . . . . 0.0 109.417 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.1 -43.52 95.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.101 -0.999 . . . . 0.0 109.461 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -68.13 -40.02 82.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.208 -0.933 . . . . 0.0 109.053 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.01 -45.66 91.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.222 -0.924 . . . . 0.0 109.659 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -47.73 84.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.018 -1.051 . . . . 0.0 109.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.3 mt -59.97 -49.79 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.261 -0.9 . . . . 0.0 109.178 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -67.76 -39.96 84.1 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 110.249 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.04 -49.91 75.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.179 -0.951 . . . . 0.0 109.741 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 0.5 OUTLIER -63.52 -40.06 96.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.053 . . . . 0.0 109.709 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -65.91 -39.96 91.05 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.239 -0.913 . . . . 0.0 109.826 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -60.85 -40.93 94.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.876 -1.14 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.96 -40.06 75.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 108.875 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.17 -44.19 95.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.422 -0.798 . . . . 0.0 109.196 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.11 -0.994 . . . . 0.0 109.052 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.99 -40.16 88.19 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -60.07 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.216 -0.927 . . . . 0.0 109.719 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.99 -39.95 87.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 0.0 109.677 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.95 -47.62 85.04 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -126.76 61.19 1.33 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.558 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.775 0 CA-C-O 117.879 -1.057 . . . . 0.0 109.072 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.73 144.56 49.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.373 -0.829 . . . . 0.0 109.477 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' C' ' 3' ' ' SER . 23.8 p -89.71 59.76 4.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.416 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.541 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.0 t -60.08 -43.02 95.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.279 -0.888 . . . . 0.0 109.241 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.541 ' N ' HG23 ' C' ' 5' ' ' THR . 63.0 tp -64.31 -41.32 96.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.112 -0.992 . . . . 0.0 108.393 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.01 -39.8 93.52 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.651 -0.656 . . . . 0.0 109.616 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.44 91.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.076 -1.015 . . . . 0.0 108.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.99 -44.24 68.63 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.19 -50.02 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 110.426 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.16 -44.44 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 109.201 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.2 -40.08 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.827 . . . . 0.0 109.841 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.108 -0.995 . . . . 0.0 109.446 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.425 ' HG3' HE21 ' A' ' 14' ' ' GLN . 96.9 mt-30 -60.24 -41.83 93.96 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.993 -1.067 . . . . 0.0 109.317 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.04 -46.11 90.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.402 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.73 -42.03 96.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.157 -0.964 . . . . 0.0 109.746 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -40.8 98.32 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.446 HD11 HD23 ' C' ' 104' ' ' LEU . 62.8 tp -62.35 -41.63 98.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.251 -0.906 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.02 -48.81 80.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.11 -40.1 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.0 109.466 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.98 -43.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.74 -40.27 94.52 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.461 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.1 mmt180 -60.79 -40.78 93.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 109.164 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.52 -39.98 89.76 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.196 -0.94 . . . . 0.0 109.131 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -60.03 -47.12 87.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.0 109.459 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.99 -40.27 94.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 0.0 109.324 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.89 -40.0 94.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.402 -0.811 . . . . 0.0 109.014 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.93 -40.39 88.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.366 -0.834 . . . . 0.0 109.341 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.64 -40.57 92.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.25 -0.907 . . . . 0.0 109.63 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.539 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 91.7 mt -62.89 -39.95 96.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.171 -0.955 . . . . 0.0 109.537 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 79.7 p -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.982 -1.074 . . . . 0.0 109.202 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.89 -40.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.305 -0.872 . . . . 0.0 109.188 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -60.06 -43.4 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 0.0 110.055 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -47.65 89.65 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.08 -50.0 75.44 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -1.204 . . . . 0.0 109.786 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -60.74 -40.31 91.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.771 HD21 HH21 ' C' ' 41' ' ' ARG . 45.6 t30 -59.98 -40.53 89.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.987 . . . . 0.0 109.576 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.2 -40.05 88.7 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 109.875 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.983 -1.073 . . . . 0.0 109.423 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -60.41 -40.86 92.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.884 -1.135 . . . . 0.0 109.053 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.771 HH21 HD21 ' C' ' 37' ' ' ASN . 33.0 mtt-85 -68.38 -39.96 81.55 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.32 -0.862 . . . . 0.0 109.136 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.96 -41.74 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.181 -0.949 . . . . 0.0 108.952 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 50.5 p -60.32 -40.02 89.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 109.305 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.39 94.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.099 -1.001 . . . . 0.0 109.16 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.98 -39.7 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.89 -40.04 87.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.353 -0.842 . . . . 0.0 109.127 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.27 -43.41 96.2 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.053 -1.029 . . . . 0.0 109.342 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 60.5 m-85 -67.17 -40.02 86.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.9 . . . . 0.0 109.695 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' C' ' 52' ' ' GLN . 83.5 mt -59.92 -40.06 87.57 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.763 -1.211 . . . . 0.0 108.006 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.65 -34.82 69.75 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.416 -1.427 . . . . 0.0 107.67 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -64.45 -28.2 69.51 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.516 HE22 HD21 ' C' ' 74' ' ' ASN . 6.5 tt0 -57.31 -45.97 83.67 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.01 -39.87 87.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.401 -0.812 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -74.61 117.3 16.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.008 -1.057 . . . . 0.0 108.848 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.694 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 77.0 m-20 -133.32 -70.83 0.52 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.297 -0.877 . . . . 0.0 110.411 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.64 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.32 117.45 4.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.0 109.534 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.615 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 93.8 m95 -101.24 131.61 47.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.324 -0.86 . . . . 0.0 111.09 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 61.44 25.2 64.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -77.01 23.62 0.17 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.662 -1.493 . . . . 0.0 109.448 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -159.13 114.17 2.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 109.909 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -122.18 11.6 10.17 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.323 -0.86 . . . . 0.0 108.898 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' C' ' 63' ' ' ARG . 24.1 ttt180 -138.08 22.08 2.82 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -147.13 152.6 38.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.98 -1.075 . . . . 0.0 108.306 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 t -101.83 58.68 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.58 158.18 43.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.502 -0.749 . . . . 0.0 109.998 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -129.37 134.16 47.74 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.596 ' O ' HG23 ' C' ' 68' ' ' THR . 7.7 t -89.93 111.87 23.07 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.7 -1.25 . . . . 0.0 109.124 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.27 120.94 43.44 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.694 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 62.7 t -125.72 81.57 65.1 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -85.44 60.16 5.26 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.832 2.355 . . . . 0.0 111.669 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.526 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 30.3 t90 -71.71 131.52 85.96 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 109.585 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.526 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 78.5 Cg_exo -40.83 149.75 0.15 Allowed 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.527 1.484 . . . . 0.0 110.876 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 2.6 t30 -130.45 -42.97 1.16 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.191 -0.943 . . . . 0.0 109.574 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.84 125.35 40.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.275 -0.89 . . . . 0.0 109.06 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.4 t -81.64 108.34 15.12 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.2 mt -84.11 134.84 34.58 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.65 0.738 . . . . 0.0 110.102 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.548 HG23 ' O ' ' C' ' 78' ' ' THR . 5.8 t -93.8 113.19 59.8 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.561 -0.712 . . . . 0.0 109.237 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -90.12 -48.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.563 1.509 . . . . 0.0 113.777 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.33 -44.05 2.39 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.8 p90 -60.1 -50.02 75.37 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.305 -1.497 . . . . 0.0 112.903 -175.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.8 t30 -70.45 -43.56 69.58 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 119.852 -1.78 . . . . 0.0 109.802 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -60.27 -49.95 75.59 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.29 -0.881 . . . . 0.0 110.988 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.29 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.749 -1.219 . . . . 0.0 109.894 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 40.4 p -69.99 -40.05 75.55 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.711 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.487 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 37.1 t-105 -68.08 -39.95 82.79 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.41 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.07 -42.14 93.93 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.682 -1.261 . . . . 0.0 108.58 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.08 -42.78 95.35 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.544 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 62.4 t90 -60.02 -50.02 75.38 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.491 -0.755 . . . . 0.0 108.996 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.8 -40.17 96.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.179 -0.95 . . . . 0.0 109.357 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -60.79 -42.72 98.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.0 -43.24 95.32 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.473 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.17 -41.56 87.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.161 -0.962 . . . . 0.0 109.306 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -60.33 -44.97 95.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.235 -0.916 . . . . 0.0 110.65 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -67.27 -39.93 86.13 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.802 -1.186 . . . . 0.0 109.72 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.3 -40.13 81.82 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.026 -1.046 . . . . 0.0 109.088 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' C' ' 101' ' ' THR . 86.4 tt0 -60.23 -44.98 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.269 -0.894 . . . . 0.0 109.579 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.07 -46.18 90.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.284 -0.885 . . . . 0.0 109.676 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.493 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.6 t-20 -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -46.97 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.343 -0.848 . . . . 0.0 109.764 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' C' ' 97' ' ' GLU . 76.4 p -60.02 -42.46 94.41 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.088 -1.007 . . . . 0.0 109.063 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.97 75.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.634 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.02 -43.85 95.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.632 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.446 HD23 HD11 ' C' ' 18' ' ' LEU . 82.2 mt -61.32 -42.74 99.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 0.0 109.443 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.33 95.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.0 109.656 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.17 -40.05 82.39 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.254 -0.904 . . . . 0.0 108.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.52 91.0 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.279 -0.888 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.13 -47.39 86.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.091 -1.005 . . . . 0.0 109.438 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.246 -0.909 . . . . 0.0 109.247 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -67.56 -40.1 84.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.434 -0.791 . . . . 0.0 110.184 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -60.01 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 109.917 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 0.5 OUTLIER -63.42 -40.05 96.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.975 -1.078 . . . . 0.0 109.602 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.13 -39.99 90.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.131 -0.981 . . . . 0.0 109.804 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.6 -41.17 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.945 -1.097 . . . . 0.0 109.522 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 98.2 mtp -70.0 -40.0 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.065 -1.022 . . . . 0.0 108.922 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.05 -44.15 94.9 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 109.166 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.17 -39.93 88.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.176 -0.952 . . . . 0.0 109.168 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.06 -40.08 88.23 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.555 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.6 mt-30 -60.32 -40.02 89.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.677 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.99 -40.01 87.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 109.754 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.76 -47.59 85.05 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -126.6 61.09 1.32 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.659 -0.651 . . . . 0.0 109.254 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.555 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 117.888 -1.054 . . . . 0.0 109.176 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.527 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.0 mt-30 -69.54 144.01 53.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 109.117 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.06 60.28 5.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.104 -0.997 . . . . 0.0 108.887 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.91 -40.0 87.58 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.513 -0.742 . . . . 0.0 109.443 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -61.09 -42.28 98.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.56 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 5' ' ' THR . 61.9 tp -60.76 -42.61 97.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 108.953 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.2 mt -60.04 -39.98 87.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.456 -0.778 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.173 -0.954 . . . . 0.0 108.672 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.32 -47.1 45.76 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.98 -48.82 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.143 -1.21 . . . . 0.0 109.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.02 -41.14 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.046 -1.034 . . . . 0.0 108.619 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.82 -40.04 91.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.38 -0.825 . . . . 0.0 109.562 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.0 -41.59 92.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.14 -0.975 . . . . 0.0 109.592 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.02 -40.47 89.39 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.064 -1.023 . . . . 0.0 109.104 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.12 -43.37 95.67 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.484 -0.76 . . . . 0.0 109.779 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -64.11 -40.42 96.16 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.45 -40.83 95.91 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.985 . . . . 0.0 109.116 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD11 HD23 ' A' ' 104' ' ' LEU . 34.8 tp -60.08 -42.91 95.6 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.815 . . . . 0.0 109.135 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 54.3 t0 -60.07 -46.3 90.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.398 -0.814 . . . . 0.0 110.209 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.01 -39.99 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.0 109.822 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.4 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.128 -0.983 . . . . 0.0 108.465 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.02 -40.02 94.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' A' ' 23' ' ' ARG . 23.2 mmt-85 -60.0 -40.3 88.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 109.136 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.03 -39.29 85.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.293 -0.88 . . . . 0.0 108.924 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -59.92 -48.96 79.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.888 . . . . 0.0 110.04 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -64.65 -40.39 95.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.72 -1.237 . . . . 0.0 109.674 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.67 -42.32 96.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 109.423 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.05 -40.05 88.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.237 -0.914 . . . . 0.0 110.035 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.95 -40.02 87.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.056 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.0 mt -64.19 -40.73 96.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 109.661 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.0 p -63.16 -39.99 96.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.072 -1.017 . . . . 0.0 109.397 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.04 -39.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.307 -0.87 . . . . 0.0 108.984 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.15 -42.54 95.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.405 -0.809 . . . . 0.0 109.776 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.32 -47.69 89.84 Favored Glycine 0 N--CA 1.488 2.133 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -49.92 75.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.918 -1.342 . . . . 0.0 109.202 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.8 -39.97 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 40' ' ' THR . 28.5 t-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 109.715 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 38' ' ' LEU . 88.6 mt -59.92 -40.11 87.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 0.0 108.376 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.92 -39.85 86.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.44 -0.788 . . . . 0.0 109.268 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 60.5 p -59.74 -40.21 87.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.735 -1.228 . . . . 0.0 108.623 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.563 ' NH2' ' ND2' ' B' ' 82' ' ' ASN . 45.3 mtt-85 -62.64 -39.92 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.843 -1.161 . . . . 0.0 108.684 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.06 -42.98 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.321 -0.862 . . . . 0.0 109.058 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.9 p -59.91 -40.3 88.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.034 -1.041 . . . . 0.0 109.139 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.4 75.72 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.427 -1.421 . . . . 0.0 109.204 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.11 -40.02 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.64 -39.99 90.34 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.673 -1.267 . . . . 0.0 108.502 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.17 -41.99 97.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.019 -1.051 . . . . 0.0 109.188 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 42.0 m-85 -64.67 -39.74 94.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 109.509 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.85 -37.59 79.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.876 -1.14 . . . . 0.0 108.118 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -60.0 -39.32 85.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.787 -1.196 . . . . 0.0 108.167 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -59.22 -39.84 83.99 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.871 -1.143 . . . . 0.0 108.168 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -60.08 -39.39 85.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 108.799 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.74 -34.28 62.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.886 -1.134 . . . . 0.0 108.82 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.43 -39.9 85.01 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.4 mt -76.64 116.9 17.74 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.766 HD22 ' H ' ' A' ' 70' ' ' VAL . 67.7 m-80 -132.41 -69.43 0.58 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.264 -0.897 . . . . 0.0 109.204 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.45 87.56 1.32 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -100.45 126.62 46.87 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.772 -0.58 . . . . 0.0 109.971 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 110.63 -4.26 29.33 Favored Glycine 0 N--CA 1.498 2.814 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.664 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.43 25.71 0.31 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.0 -1.883 . . . . 0.0 109.366 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.45 102.57 14.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.585 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 17.7 m-85 -107.34 7.49 29.21 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.827 -1.171 . . . . 0.0 109.864 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.68 24.59 0.28 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.5 152.49 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.723 -0.611 . . . . 0.0 109.477 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.95 57.53 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 159.93 44.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.504 -0.748 . . . . 0.0 109.969 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -119.49 134.48 55.2 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.29 121.63 37.15 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.767 0.794 . . . . 0.0 110.916 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.27 123.05 49.09 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.766 ' H ' HD22 ' A' ' 56' ' ' ASN . 20.4 t -125.59 83.43 61.93 Favored Pre-proline 0 N--CA 1.501 2.093 0 O-C-N 121.353 -0.842 . . . . 0.0 109.811 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.89 65.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 122.939 2.426 . . . . 0.0 112.122 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 47.5 t90 -68.73 130.07 92.04 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.077 -1.014 . . . . 0.0 108.657 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 57.3 Cg_exo -36.89 147.91 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.761 1.64 . . . . 0.0 111.946 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 40.5 t-20 -130.12 -60.1 1.03 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.461 -0.775 . . . . 0.0 109.49 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.69 126.2 36.69 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.042 -1.036 . . . . 0.0 108.994 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 p -80.51 108.57 14.25 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.78 136.14 35.43 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.401 0.62 . . . . 0.0 109.96 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -91.94 112.26 53.91 Favored Pre-proline 0 N--CA 1.492 1.654 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -92.91 -48.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.179 0 C-N-CA 121.84 1.693 . . . . 0.0 114.867 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.4 -44.27 2.37 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.379 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 6.5 p90 -60.01 -51.65 68.76 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.292 -1.505 . . . . 0.0 112.006 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.662 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 2.0 t30 -79.58 -41.65 26.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.09 -1.631 . . . . 0.0 110.075 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.02 -49.71 76.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.267 -0.896 . . . . 0.0 109.844 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.94 -48.4 81.84 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.087 -1.008 . . . . 0.0 109.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 81' ' ' TRP . 71.5 p -65.31 -40.25 93.53 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.285 -0.884 . . . . 0.0 109.774 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -60.56 -39.95 89.85 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.055 -1.028 . . . . 0.0 109.373 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.0 -42.1 93.53 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.853 -1.155 . . . . 0.0 108.288 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -62.0 -39.99 94.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.245 -0.909 . . . . 0.0 109.009 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.441 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.0 t90 -59.97 -49.81 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.64 -44.2 96.65 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -42.62 98.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 110.864 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.43 -42.51 96.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.776 -1.203 . . . . 0.0 109.383 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.57 -41.15 86.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.077 -1.014 . . . . 0.0 108.706 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.66 -45.12 95.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.496 -0.753 . . . . 0.0 110.686 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -63.84 -41.95 97.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.811 -1.181 . . . . 0.0 109.684 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.66 -41.1 92.9 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.997 -1.065 . . . . 0.0 108.778 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.11 -48.28 82.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.374 -0.829 . . . . 0.0 109.137 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.27 -44.51 95.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.0 109.396 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.26 -44.31 95.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.519 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.18 -45.27 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.408 -0.808 . . . . 0.0 109.329 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 74.8 p -60.67 -41.97 96.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.259 -0.901 . . . . 0.0 109.889 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.33 99.05 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.043 -1.036 . . . . 0.0 109.165 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.94 -42.21 90.33 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.502 HD23 HD11 ' A' ' 18' ' ' LEU . 85.5 mt -61.14 -46.66 89.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.086 -1.009 . . . . 0.0 108.738 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.97 -47.91 83.87 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.99 -41.28 96.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.538 -0.726 . . . . 0.0 109.432 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.88 95.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.401 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 26.0 mm100 -60.1 -46.72 88.68 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.411 -0.806 . . . . 0.0 109.491 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.92 -49.95 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.132 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.33 -40.17 93.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.942 . . . . 0.0 109.22 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.94 -49.46 77.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.505 -0.747 . . . . 0.0 109.439 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.18 -40.66 98.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.187 -0.946 . . . . 0.0 109.278 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -63.14 -40.07 96.51 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.431 -0.793 . . . . 0.0 109.634 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.75 -40.53 84.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.959 -1.088 . . . . 0.0 109.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -69.19 -40.08 78.3 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.92 -47.47 85.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.88 -40.09 91.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.02 -41.79 92.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.681 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.9 mt-30 -60.34 -40.49 90.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.745 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -60.39 -39.94 89.12 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.183 -0.948 . . . . 0.0 109.219 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.82 -49.04 79.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.94 56.98 0.76 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.403 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 95.9 mt-30 -69.73 143.99 52.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.892 . . . . 0.0 109.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -89.25 60.32 5.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.112 -0.993 . . . . 0.0 108.821 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.86 -40.02 87.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.535 -0.728 . . . . 0.0 109.519 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -61.24 -42.27 98.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.204 -0.935 . . . . 0.0 109.527 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' B' ' 5' ' ' THR . 61.8 tp -60.65 -42.55 97.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.141 -0.974 . . . . 0.0 108.851 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.51 -0.743 . . . . 0.0 109.772 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.96 87.58 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.199 -0.938 . . . . 0.0 108.668 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.43 -47.03 45.27 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -48.88 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.257 -1.143 . . . . 0.0 109.809 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.94 -41.33 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.125 -0.984 . . . . 0.0 108.589 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.79 -39.94 90.76 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.559 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -59.99 -41.52 92.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 109.675 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.08 -40.41 89.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.968 . . . . 0.0 109.005 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.06 -43.25 95.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.787 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.09 -40.75 96.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.101 -1.0 . . . . 0.0 109.908 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.09 -40.83 95.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.506 HD11 HD23 ' B' ' 104' ' ' LEU . 34.3 tp -60.21 -43.0 96.33 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.509 -0.744 . . . . 0.0 109.084 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.97 -46.33 89.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.517 -0.739 . . . . 0.0 110.202 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.99 -40.09 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 109.894 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 67.0 t -59.94 -40.67 83.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.153 -0.967 . . . . 0.0 108.568 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.0 -40.01 94.19 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.304 0.573 . . . . 0.0 109.454 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.445 ' NH1' ' OD1' ' B' ' 19' ' ' ASP . 23.9 mmt-85 -60.11 -40.27 89.12 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.384 -0.823 . . . . 0.0 109.02 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -59.97 -39.58 86.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.387 -0.821 . . . . 0.0 108.869 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.93 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -64.71 -40.37 95.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.774 -1.204 . . . . 0.0 109.605 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.59 -42.48 96.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.468 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.17 -39.89 88.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.242 -0.911 . . . . 0.0 109.982 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.0 108.98 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.462 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 86.1 mt -64.17 -40.92 97.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.001 -1.062 . . . . 0.0 109.664 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 58.1 p -62.83 -39.99 96.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.122 -0.986 . . . . 0.0 109.445 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.16 -39.9 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -60.04 -42.79 95.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.807 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.62 90.12 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.624 -1.274 . . . . 0.0 110.195 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.03 -50.01 75.42 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.006 -1.29 . . . . 0.0 109.252 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -61.04 -39.95 91.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.299 -0.875 . . . . 0.0 109.148 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.96 -40.14 88.0 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.275 -0.891 . . . . 0.0 109.672 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.3 mt -59.98 -39.94 87.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.04 -1.037 . . . . 0.0 108.399 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.09 -39.89 87.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.391 -0.818 . . . . 0.0 109.242 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 59.6 p -59.62 -40.19 86.74 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.73 -1.231 . . . . 0.0 108.587 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.562 ' NH2' ' ND2' ' C' ' 82' ' ' ASN . 46.3 mtt-85 -62.7 -40.0 95.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.858 -1.151 . . . . 0.0 108.587 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.03 -42.8 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -59.97 -40.27 88.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -1.0 . . . . 0.0 109.161 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.02 -40.4 75.22 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.307 -1.496 . . . . 0.0 109.21 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.98 -40.12 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 110.657 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.63 -40.03 90.4 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 118.633 -1.227 . . . . 0.0 108.54 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.04 -41.57 96.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.935 -1.103 . . . . 0.0 109.339 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 41.8 m-85 -65.15 -39.93 93.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.108 -0.995 . . . . 0.0 109.342 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 49' ' ' LEU . 64.9 mt -59.82 -37.43 79.14 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.842 -1.161 . . . . 0.0 108.177 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.97 -39.38 85.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 108.195 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.31 -39.77 84.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.811 -1.181 . . . . 0.0 108.041 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.525 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.55 86.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.893 -1.129 . . . . 0.0 108.773 178.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.68 -34.17 61.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.834 -1.166 . . . . 0.0 108.819 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.63 -39.88 85.75 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.73 117.15 18.06 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.771 HD22 ' H ' ' B' ' 70' ' ' VAL . 67.4 m-80 -132.64 -69.23 0.58 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.188 -0.945 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.6 87.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -100.25 126.35 46.54 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.815 -0.553 . . . . 0.0 109.977 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 110.82 -4.35 29.05 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.785 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.45 25.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.012 -1.875 . . . . 0.0 109.364 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.566 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.45 102.23 14.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.441 -0.787 . . . . 0.0 109.562 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.56 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 18.4 m-85 -106.97 7.51 29.97 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.862 -1.149 . . . . 0.0 109.909 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -157.78 24.56 0.27 Allowed 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -144.54 152.59 40.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.661 -0.649 . . . . 0.0 109.51 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -111.01 57.5 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.88 159.95 43.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.489 -0.757 . . . . 0.0 109.984 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.46 134.43 55.22 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.41 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -95.21 121.64 37.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.416 -0.803 . . . . 0.0 110.788 -178.081 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.21 123.14 49.23 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.771 ' H ' HD22 ' B' ' 56' ' ' ASN . 20.4 t -125.67 83.34 62.31 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.319 -0.863 . . . . 0.0 109.713 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.85 65.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.885 2.39 . . . . 0.0 112.043 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' B' ' 70' ' ' VAL . 47.7 t90 -68.67 130.36 91.93 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.896 -1.127 . . . . 0.0 108.705 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.461 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 62.4 Cg_exo -37.13 147.86 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.585 1.523 . . . . 0.0 112.005 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.574 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 40.7 t-20 -130.3 -60.15 1.01 Allowed 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.427 -0.796 . . . . 0.0 109.51 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.56 126.16 36.55 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.829 -1.169 . . . . 0.0 109.025 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.1 p -80.35 108.44 13.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 mt -81.74 136.1 35.47 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.453 0.644 . . . . 0.0 109.888 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.668 ' O ' HG23 ' B' ' 78' ' ' THR . 14.0 t -91.86 112.25 53.74 Favored Pre-proline 0 N--CA 1.492 1.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -92.89 -48.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 121.769 1.646 . . . . 0.0 114.952 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -121.24 -44.24 2.39 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.157 -0.964 . . . . 0.0 113.345 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.664 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 6.6 p90 -59.94 -51.52 69.34 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.31 -1.494 . . . . 0.0 112.075 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.664 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 2.0 t30 -79.72 -41.44 26.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.11 -1.619 . . . . 0.0 109.956 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -59.98 -49.92 75.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.145 -0.972 . . . . 0.0 109.942 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -48.6 81.03 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.111 -0.993 . . . . 0.0 109.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.501 HG23 ' O ' ' B' ' 81' ' ' TRP . 71.4 p -64.87 -39.99 94.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.135 -0.978 . . . . 0.0 109.901 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -60.95 -40.02 91.71 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.285 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -41.56 92.44 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.853 -1.155 . . . . 0.0 108.23 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.46 -39.98 95.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.485 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.5 t90 -59.99 -49.84 76.08 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -60.44 -44.63 95.6 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.32 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.66 -43.03 98.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.789 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.14 -42.19 94.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.682 -1.261 . . . . 0.0 109.611 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.92 -40.93 87.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 120.97 -1.081 . . . . 0.0 108.895 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.04 -44.89 96.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.518 -0.739 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -63.74 -41.7 97.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.728 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 69.3 mt -66.14 -40.9 90.95 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.123 -0.986 . . . . 0.0 108.819 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.27 -48.13 83.07 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.319 -0.863 . . . . 0.0 109.085 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -44.38 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.267 -0.895 . . . . 0.0 109.469 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.41 -44.14 96.02 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.307 -0.871 . . . . 0.0 109.512 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.46 -44.94 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 76.7 p -61.28 -41.02 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.196 -0.94 . . . . 0.0 109.924 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.89 99.66 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.148 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.65 -41.77 87.72 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.167 -0.958 . . . . 0.0 109.429 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.506 HD23 HD11 ' B' ' 18' ' ' LEU . 84.7 mt -61.5 -46.25 90.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.978 . . . . 0.0 108.752 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.07 -48.1 83.14 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.04 -41.17 96.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.98 95.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 108.86 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -60.05 -46.92 87.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.301 -0.874 . . . . 0.0 109.551 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -49.92 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.247 -0.908 . . . . 0.0 109.132 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -65.4 -40.08 93.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 109.152 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.95 -49.59 77.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.389 -0.819 . . . . 0.0 109.368 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -63.06 -40.81 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.136 -0.977 . . . . 0.0 109.318 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.93 -40.06 96.48 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 109.574 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.22 82.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.922 -1.111 . . . . 0.0 109.366 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -39.93 77.81 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -60.01 -47.4 85.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.567 -0.708 . . . . 0.0 109.455 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.92 -39.98 91.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 109.545 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.09 -41.71 93.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.285 -0.884 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.9 mt-30 -60.23 -40.37 89.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.52 -39.99 89.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.251 -0.906 . . . . 0.0 109.194 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.68 -49.28 78.34 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.62 56.77 0.75 Allowed 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.354 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.513 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 95.7 mt-30 -69.66 144.11 53.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.977 . . . . 0.0 109.095 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -89.2 59.87 5.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.988 -1.07 . . . . 0.0 108.888 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.94 -40.02 87.47 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.537 -0.727 . . . . 0.0 109.645 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -61.03 -42.3 98.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.489 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' C' ' 5' ' ' THR . 62.1 tp -60.58 -42.7 97.19 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -0.872 . . . . 0.0 108.99 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.15 -39.97 88.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.699 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.91 86.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.114 -0.992 . . . . 0.0 108.734 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.05 44.24 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -48.96 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.184 -1.186 . . . . 0.0 109.688 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -59.98 -40.99 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 120.994 -1.066 . . . . 0.0 108.641 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.86 -40.06 91.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.429 -0.795 . . . . 0.0 109.576 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.01 -41.34 91.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.124 -0.985 . . . . 0.0 109.581 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -60.1 -40.47 89.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.99 . . . . 0.0 109.094 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -60.02 -43.32 95.34 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.347 -0.846 . . . . 0.0 109.836 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.89 -40.81 97.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.028 -1.045 . . . . 0.0 109.939 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.11 -41.0 95.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.244 -0.91 . . . . 0.0 109.17 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.507 HD11 HD23 ' C' ' 104' ' ' LEU . 34.0 tp -60.05 -43.16 95.57 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.107 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . 0.451 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 55.6 t0 -59.97 -46.14 90.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.441 -0.787 . . . . 0.0 110.311 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.97 -40.04 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.112 -0.993 . . . . 0.0 109.79 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.02 -40.49 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.08 -1.012 . . . . 0.0 108.422 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -62.12 -40.07 94.65 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.451 ' NH1' ' OD1' ' C' ' 19' ' ' ASP . 23.7 mmt-85 -60.01 -40.24 88.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.284 -0.885 . . . . 0.0 108.996 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.02 -39.56 86.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 108.882 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -59.94 -48.77 80.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -0.94 . . . . 0.0 109.989 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -64.62 -40.07 94.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.643 -1.286 . . . . 0.0 109.681 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.23 -41.88 97.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.136 -0.978 . . . . 0.0 109.299 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.29 -40.01 88.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.1 -39.95 87.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 109.016 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.441 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 85.5 mt -64.1 -40.78 96.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.068 -1.02 . . . . 0.0 109.734 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 61.0 p -63.17 -39.99 96.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.134 -0.979 . . . . 0.0 109.43 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.05 -39.95 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -60.08 -42.62 94.98 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.376 -0.827 . . . . 0.0 109.889 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.16 -47.63 90.1 Favored Glycine 0 N--CA 1.488 2.106 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.18 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -49.96 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.974 -1.309 . . . . 0.0 109.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.96 -40.07 91.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.219 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.91 -40.07 87.57 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.9 mt -59.98 -39.95 87.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 108.506 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.04 -39.71 86.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.543 -0.723 . . . . 0.0 109.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -59.92 -40.03 87.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.787 -1.196 . . . . 0.0 108.639 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' A' ' 82' ' ' ASN . 45.2 mtt-85 -62.75 -39.92 95.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.931 -1.106 . . . . 0.0 108.618 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.13 -42.69 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 81.6 p -60.05 -40.13 88.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.063 -1.023 . . . . 0.0 109.178 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.37 74.78 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.415 -1.428 . . . . 0.0 109.218 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.84 -40.01 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.568 -0.708 . . . . 0.0 110.593 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -40.01 91.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.753 -1.217 . . . . 0.0 108.578 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.18 -41.64 97.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.971 -1.081 . . . . 0.0 109.191 179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.556 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 42.2 m-85 -64.99 -39.89 94.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.956 -1.09 . . . . 0.0 109.42 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 64.0 mt -59.79 -37.41 79.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.184 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -59.93 -39.5 85.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.932 -1.105 . . . . 0.0 108.152 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.38 -39.66 84.07 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.873 -1.142 . . . . 0.0 108.142 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -59.99 -39.62 86.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.022 -1.049 . . . . 0.0 108.803 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.36 62.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.976 -1.078 . . . . 0.0 108.811 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.27 -39.85 84.21 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -76.75 117.07 18.0 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.799 HD22 ' H ' ' C' ' 70' ' ' VAL . 68.1 m-80 -132.57 -69.5 0.58 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.21 -0.931 . . . . 0.0 109.135 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.34 87.32 1.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -100.27 126.79 46.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.716 -0.615 . . . . 0.0 109.918 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 110.18 -3.74 29.94 Favored Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.759 177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.63 25.82 0.33 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 119.928 1.864 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.576 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.58 102.27 14.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.372 -0.83 . . . . 0.0 109.61 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 17.7 m-85 -106.97 7.52 29.96 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 120.855 -1.153 . . . . 0.0 109.902 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -157.78 24.86 0.27 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.82 152.44 40.31 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.742 -0.598 . . . . 0.0 109.497 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -110.88 57.47 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.91 159.93 43.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.487 -0.758 . . . . 0.0 110.003 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -119.56 134.41 55.24 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.414 HG22 ' H ' ' C' ' 68' ' ' THR . 0.0 OUTLIER -95.23 121.81 37.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.298 -0.876 . . . . 0.0 110.837 -177.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.47 123.11 49.29 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.799 ' H ' HD22 ' C' ' 56' ' ' ASN . 20.6 t -125.8 83.28 62.82 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.338 -0.851 . . . . 0.0 109.768 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.86 65.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.996 2.464 . . . . 0.0 112.068 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.485 ' N ' ' O ' ' C' ' 70' ' ' VAL . 47.3 t90 -68.9 130.18 91.78 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 120.991 -1.068 . . . . 0.0 108.786 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.462 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 59.7 Cg_exo -36.81 147.9 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.742 1.628 . . . . 0.0 111.996 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 41.1 t-20 -130.24 -60.26 1.01 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.34 -0.85 . . . . 0.0 109.39 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.65 126.36 36.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.098 -1.001 . . . . 0.0 108.963 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 13.4 p -80.65 108.73 14.53 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.13 136.15 35.2 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.494 0.664 . . . . 0.0 109.764 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.651 HG23 ' O ' ' C' ' 78' ' ' THR . 13.5 t -91.99 112.52 55.25 Favored Pre-proline 0 N--CA 1.491 1.593 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -93.16 -48.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.751 1.634 . . . . 0.0 114.896 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 -44.16 2.37 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.16 -0.962 . . . . 0.0 113.262 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.673 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 6.4 p90 -59.98 -51.69 68.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.379 -1.45 . . . . 0.0 111.997 -176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.673 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 1.9 t30 -79.77 -41.39 26.67 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.132 -1.605 . . . . 0.0 110.078 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.07 -49.63 76.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.111 -0.993 . . . . 0.0 109.863 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -60.01 -48.8 80.22 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.086 -1.009 . . . . 0.0 109.097 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.502 HG23 ' O ' ' C' ' 81' ' ' TRP . 69.9 p -64.7 -40.01 94.64 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.335 -0.853 . . . . 0.0 109.798 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -61.07 -40.09 92.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.242 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.06 -41.61 92.74 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.04 -1.064 . . . . 0.0 108.253 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.52 -40.07 95.58 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.303 -0.873 . . . . 0.0 108.912 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.462 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.6 t90 -59.97 -49.85 76.05 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -60.39 -44.3 95.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.327 -0.858 . . . . 0.0 109.26 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.13 -42.86 99.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.252 -0.905 . . . . 0.0 110.751 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.13 -42.28 94.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.656 -1.278 . . . . 0.0 109.426 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.7 -41.27 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.086 -1.009 . . . . 0.0 108.822 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.77 -44.82 96.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.0 110.676 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -63.93 -41.62 97.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.828 -1.17 . . . . 0.0 109.719 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.96 -41.14 91.59 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.129 -0.982 . . . . 0.0 108.724 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.94 -48.6 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.44 -0.788 . . . . 0.0 109.136 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.99 -44.58 94.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.502 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -60.34 -43.99 95.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 0.0 109.53 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.47 -45.28 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 0.0 109.265 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 75.1 p -60.97 -41.18 95.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.913 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.41 99.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.953 -1.092 . . . . 0.0 109.372 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.17 -41.31 86.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.304 -0.872 . . . . 0.0 109.326 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.507 HD23 HD11 ' C' ' 18' ' ' LEU . 84.9 mt -61.75 -46.59 88.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.135 -0.978 . . . . 0.0 108.698 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.05 -47.77 84.49 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.26 -41.11 96.37 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.37 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.1 95.82 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.108 -0.995 . . . . 0.0 108.948 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -60.06 -46.53 89.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.431 -0.793 . . . . 0.0 109.555 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.94 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.105 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -65.28 -40.08 93.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -60.06 -49.61 76.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.45 -0.781 . . . . 0.0 109.516 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.17 -40.67 98.22 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.271 -0.893 . . . . 0.0 109.267 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -62.88 -40.14 96.59 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.29 -0.881 . . . . 0.0 109.752 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.13 -40.12 82.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 109.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -69.35 -40.03 77.77 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.98 -47.76 84.51 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.511 -0.743 . . . . 0.0 109.492 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.67 -39.99 90.45 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -0.956 . . . . 0.0 109.486 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.02 -41.56 92.44 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.254 -0.904 . . . . 0.0 109.688 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.9 mt-30 -60.5 -40.74 92.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.142 -0.974 . . . . 0.0 109.621 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.0 -39.72 86.74 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.193 -0.942 . . . . 0.0 109.521 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.95 -49.18 78.68 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.04 57.03 0.76 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -71.59 144.89 49.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -89.38 59.95 5.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.106 -0.996 . . . . 0.0 109.335 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -65.47 -40.05 92.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.138 -0.976 . . . . 0.0 109.492 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 10.2 t -59.98 -43.0 95.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.082 -1.011 . . . . 0.0 109.38 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 63.8 tp -60.04 -42.67 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.119 -0.988 . . . . 0.0 108.854 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.04 -38.96 84.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.45 -0.781 . . . . 0.0 109.657 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.64 57.09 Favored Glycine 0 N--CA 1.488 2.119 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.96 -48.73 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -1.097 . . . . 0.0 109.506 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.99 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.063 -1.023 . . . . 0.0 108.949 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.58 -39.97 89.97 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.504 -0.747 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -59.97 -41.42 91.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.0 109.596 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.401 HE21 ' HG3' ' C' ' 14' ' ' GLN . 96.8 mt-30 -61.63 -42.47 98.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.996 -1.065 . . . . 0.0 109.348 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.06 -45.32 93.25 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.204 -0.935 . . . . 0.0 109.095 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.15 -43.77 95.49 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.333 -0.854 . . . . 0.0 109.372 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.76 -40.67 97.99 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.242 -0.912 . . . . 0.0 109.589 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 HD23 ' A' ' 104' ' ' LEU . 57.3 tp -59.97 -42.51 94.29 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.267 -0.896 . . . . 0.0 108.711 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.01 -48.28 82.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.36 -0.838 . . . . 0.0 109.846 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 HG11 ' B' ' 21' ' ' VAL . 70.9 t -60.29 -40.59 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.257 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG11 HG11 ' C' ' 20' ' ' VAL . 56.3 t -59.96 -48.47 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -64.68 -40.47 95.45 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' NH2' HD11 ' B' ' 103' ' ' LEU . 38.5 ttm180 -60.67 -39.98 90.39 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -60.04 -39.94 87.66 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.274 -0.891 . . . . 0.0 108.988 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -42.04 93.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.077 -1.014 . . . . 0.0 109.796 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.43 -41.79 94.74 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.761 -1.212 . . . . 0.0 109.081 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD23 HD13 ' B' ' 28' ' ' LEU . 34.3 tp -60.37 -40.74 91.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.685 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD13 HD23 ' C' ' 27' ' ' LEU . 97.1 mt -60.0 -40.07 87.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.454 -0.779 . . . . 0.0 109.475 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.02 -40.06 87.98 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.06 -1.025 . . . . 0.0 108.751 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.561 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.8 mt -62.25 -41.39 98.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 109.749 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.6 p -63.24 -40.08 96.43 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.037 -1.039 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.45 -41.21 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.335 -0.853 . . . . 0.0 109.19 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.04 -42.87 95.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.533 -0.729 . . . . 0.0 110.215 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.11 71.22 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 119.611 -1.28 . . . . 0.0 110.276 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -59.93 -50.01 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -1.216 . . . . 0.0 110.009 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -60.59 -40.0 90.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.855 . . . . 0.0 109.637 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.737 HD21 HH21 ' A' ' 41' ' ' ARG . 39.9 t30 -59.97 -40.45 89.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.095 -1.003 . . . . 0.0 109.47 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.25 -40.01 88.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.937 -1.102 . . . . 0.0 109.234 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.08 -40.22 88.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 109.75 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.5 p -60.06 -42.81 95.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.889 -1.132 . . . . 0.0 108.667 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.737 HH21 HD21 ' A' ' 37' ' ' ASN . 28.7 mtt-85 -63.3 -40.1 96.43 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.0 -40.27 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.532 -0.73 . . . . 0.0 109.835 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 51.4 p -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.011 -1.055 . . . . 0.0 109.106 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.08 79.36 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.402 -1.436 . . . . 0.0 108.855 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.69 -42.16 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 43' ' ' THR . 21.8 pt-20 -62.37 -39.89 94.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.286 -1.509 . . . . 0.0 108.452 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -59.88 -42.18 93.18 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.153 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 36.2 m-85 -64.3 -39.39 93.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.683 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HE22 ' C' ' 52' ' ' GLN . 46.1 mt -59.8 -40.06 87.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.071 -1.018 . . . . 0.0 108.495 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.0 -40.02 87.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.97 -1.082 . . . . 0.0 108.817 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.01 -42.2 93.8 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.208 -0.933 . . . . 0.0 109.565 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.445 HE22 ' CD2' ' B' ' 49' ' ' LEU . 31.8 mt-30 -60.64 -40.03 90.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.924 -1.11 . . . . 0.0 109.631 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -57.76 -32.95 67.97 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.106 -0.996 . . . . 0.0 108.572 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.63 -37.62 76.31 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -68.53 114.63 7.1 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.755 HD22 ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -133.98 -68.53 0.56 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.274 -0.891 . . . . 0.0 109.407 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.47 87.61 1.45 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.48 ' C ' ' H ' ' A' ' 60' ' ' ALA . 72.9 m95 -104.73 146.82 28.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.559 -0.713 . . . . 0.0 110.386 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 56.56 5.28 1.14 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.525 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -75.86 23.82 0.13 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.331 -1.1 . . . . 0.0 108.935 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -156.9 107.28 2.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.68 12.81 35.8 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.286 -0.883 . . . . 0.0 109.494 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 62.5 mtp180 -117.34 21.58 13.01 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.534 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.84 151.76 32.74 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.44 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.121 -0.987 . . . . 0.0 108.752 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.52 157.82 42.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.436 -0.79 . . . . 0.0 109.319 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -125.29 133.0 52.8 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.96 120.73 40.26 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 121.892 0.853 . . . . 0.0 111.229 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 69' ' ' THR . 14.7 t -114.2 123.88 50.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.755 ' H ' HD22 ' A' ' 56' ' ' ASN . 43.1 t -132.27 78.98 67.19 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.204 -0.935 . . . . 0.0 109.963 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.09 67.94 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 123.071 2.514 . . . . 0.0 112.264 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.518 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 28.6 t90 -67.1 132.42 93.64 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 120.89 -1.131 . . . . 0.0 108.333 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' TRP . 92.5 Cg_exo -37.64 147.26 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.54 1.493 . . . . 0.0 112.047 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.3 OUTLIER -130.54 -60.03 1.0 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.87 127.05 35.35 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.7 t -78.29 112.6 15.45 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.221 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.59 140.24 44.24 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.816 0.817 . . . . 0.0 110.179 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 78' ' ' THR . 6.8 t -135.27 87.39 28.19 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -100.25 -43.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 123.258 2.638 . . . . 0.0 114.353 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.96 -44.87 29.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 112.99 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.543 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 6.1 p90 -90.05 -28.78 18.81 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 120.465 -1.397 . . . . 0.0 112.821 -177.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.543 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 31.1 t30 -77.48 -49.9 13.8 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.124 -1.61 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -60.25 -45.21 94.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.088 -1.007 . . . . 0.0 110.211 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.93 -45.37 92.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.966 -1.084 . . . . 0.0 108.637 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' TRP . 45.3 p -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -67.57 -40.0 84.88 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.243 -0.91 . . . . 0.0 109.416 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.01 -40.82 90.58 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.893 -1.129 . . . . 0.0 108.25 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.48 -42.83 99.39 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 108.237 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.586 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.2 t90 -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.443 -0.786 . . . . 0.0 109.246 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.35 -40.47 95.93 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.862 . . . . 0.0 109.546 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.88 -42.29 99.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.03 -45.06 94.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.652 -1.28 . . . . 0.0 109.271 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.69 -40.99 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.63 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.09 -46.83 88.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.592 -0.693 . . . . 0.0 110.138 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -68.83 -40.03 79.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.83 -1.169 . . . . 0.0 109.084 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.91 -41.49 91.38 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.462 -0.895 . . . . 0.0 108.923 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.19 -49.49 77.44 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.194 -0.941 . . . . 0.0 108.714 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 101' ' ' THR . 89.0 tt0 -61.38 -40.03 92.82 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.581 -0.699 . . . . 0.0 109.197 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.439 ' O ' ' NH1' ' C' ' 23' ' ' ARG . 22.7 m120 -64.25 -40.34 95.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.803 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.4 -41.41 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.077 -1.015 . . . . 0.0 108.923 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 98' ' ' GLU . 67.0 p -60.63 -40.0 90.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.206 -0.934 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.78 80.32 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.268 -0.895 . . . . 0.0 109.233 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.475 HD11 ' NH2' ' C' ' 23' ' ' ARG . 82.0 mt -63.21 -40.09 96.5 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.949 -1.094 . . . . 0.0 108.752 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 18' ' ' LEU . 90.6 mt -65.54 -40.51 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 109.535 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -59.9 -50.08 75.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.088 -1.007 . . . . 0.0 108.9 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.57 94.64 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.321 -0.862 . . . . 0.0 109.376 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.57 98.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.832 . . . . 0.0 109.517 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -60.03 -49.54 77.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.205 -0.935 . . . . 0.0 109.613 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.03 -47.53 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.246 -0.909 . . . . 0.0 109.439 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.427 ' NE2' ' OE1' ' C' ' 16' ' ' GLN . 77.9 mt-30 -68.74 -40.31 79.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -60.34 -50.02 75.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.091 -1.005 . . . . 0.0 109.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -64.14 -41.95 96.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.347 -0.846 . . . . 0.0 109.133 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -67.76 -39.99 84.13 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.644 -0.822 . . . . 0.0 108.949 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.99 -44.37 96.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.138 -0.976 . . . . 0.0 109.246 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.68 -40.02 80.29 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.251 -0.906 . . . . 0.0 108.93 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -60.02 -44.85 94.33 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.354 -0.841 . . . . 0.0 110.062 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.57 -40.46 94.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.975 -1.078 . . . . 0.0 109.5 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.18 -42.26 98.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.889 . . . . 0.0 109.559 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 123' ' ' SER . 95.5 mt-30 -61.65 -39.89 92.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.188 -0.945 . . . . 0.0 109.679 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -60.09 -38.55 83.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.733 . . . . 0.0 109.445 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.65 -46.73 88.13 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.99 62.25 1.51 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.435 -0.791 . . . . 0.0 109.608 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 117.986 -1.006 . . . . 0.0 109.335 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.221 0.534 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -71.57 145.17 49.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 109.533 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.9 60.3 4.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.166 -0.959 . . . . 0.0 109.328 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -65.5 -39.99 92.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.218 -0.926 . . . . 0.0 109.461 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.496 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.7 t -60.02 -42.93 95.39 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.168 -0.957 . . . . 0.0 109.488 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.496 ' N ' HG23 ' B' ' 5' ' ' THR . 64.4 tp -60.13 -42.47 94.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 108.87 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.08 -39.23 85.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 109.544 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.06 87.83 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.041 -1.037 . . . . 0.0 108.658 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.37 -45.83 59.0 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 -48.7 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -1.078 . . . . 0.0 109.56 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.03 -41.46 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.131 -0.98 . . . . 0.0 108.898 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.64 -39.97 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.192 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.94 -41.38 91.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.51 -0.744 . . . . 0.0 109.622 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.77 -42.47 99.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.044 -1.035 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.05 -45.25 93.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.036 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -43.08 97.46 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.403 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.33 -40.37 97.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.338 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.441 HD11 HD23 ' B' ' 104' ' ' LEU . 56.9 tp -60.11 -42.62 95.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.233 -0.917 . . . . 0.0 108.724 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -60.04 -48.42 81.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 109.807 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.413 HG11 HG11 ' C' ' 21' ' ' VAL . 66.1 t -60.05 -40.47 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.986 -1.072 . . . . 0.0 109.392 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.423 HG11 HG11 ' A' ' 20' ' ' VAL . 56.2 t -60.08 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.69 -40.14 94.88 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.764 0.793 . . . . 0.0 108.976 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.471 ' NH2' HD11 ' C' ' 103' ' ' LEU . 38.6 ttm180 -60.82 -40.0 91.14 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.14 -39.97 88.19 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.333 -0.854 . . . . 0.0 108.834 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -59.96 -41.79 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.019 -1.05 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.85 -41.55 96.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.797 -1.189 . . . . 0.0 109.055 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.499 HD23 HD13 ' C' ' 28' ' ' LEU . 34.0 tp -60.26 -40.81 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.479 -0.763 . . . . 0.0 109.709 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.513 HD13 HD23 ' A' ' 27' ' ' LEU . 97.1 mt -59.97 -40.04 87.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.463 -0.773 . . . . 0.0 109.567 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.92 -40.16 87.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.073 -1.017 . . . . 0.0 108.712 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.56 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -62.38 -41.12 98.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 109.748 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.38 -40.24 96.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.44 -41.02 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.388 -0.82 . . . . 0.0 109.214 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -60.12 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 110.263 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.01 72.33 Favored Glycine 0 N--CA 1.489 2.187 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.3 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 92.3 m -60.01 -50.09 75.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -1.197 . . . . 0.0 109.858 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.51 -39.96 89.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 0.0 109.582 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.741 HD21 HH21 ' B' ' 41' ' ' ARG . 40.1 t30 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 0.0 109.552 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.69 -39.92 90.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.008 -1.057 . . . . 0.0 109.069 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.03 -40.28 88.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 109.812 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' B' ' 43' ' ' THR . 44.6 p -60.04 -42.72 95.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.9 -1.125 . . . . 0.0 108.842 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.741 HH21 HD21 ' B' ' 37' ' ' ASN . 29.4 mtt-85 -63.4 -40.08 96.24 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.06 -40.25 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.634 -0.666 . . . . 0.0 109.803 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 52.0 p -60.04 -40.02 87.94 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.897 -1.127 . . . . 0.0 109.079 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.16 -39.92 78.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.355 -1.465 . . . . 0.0 108.796 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.69 -42.38 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.395 -0.816 . . . . 0.0 111.727 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 43' ' ' THR . 21.7 pt-20 -62.17 -39.88 94.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.322 -1.486 . . . . 0.0 108.544 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.98 -41.97 93.15 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.12 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 36.5 m-85 -64.19 -39.44 94.01 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.095 -1.003 . . . . 0.0 109.723 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.445 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.9 mt -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.074 -1.016 . . . . 0.0 108.458 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -60.25 -40.08 89.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.008 -1.057 . . . . 0.0 108.858 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.95 -42.05 93.22 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.212 -0.93 . . . . 0.0 109.599 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.473 HE22 ' CD2' ' C' ' 49' ' ' LEU . 31.6 mt-30 -60.99 -39.97 91.71 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.923 -1.11 . . . . 0.0 109.493 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -57.47 -33.07 67.61 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.138 -0.976 . . . . 0.0 108.683 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.67 -37.63 76.43 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.56 114.55 7.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.765 HD22 ' H ' ' B' ' 70' ' ' VAL . 71.3 m-80 -133.93 -69.01 0.54 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.285 -0.884 . . . . 0.0 109.4 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 87.65 1.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.477 ' C ' ' H ' ' B' ' 60' ' ' ALA . 73.0 m95 -104.92 146.21 29.34 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.533 -0.73 . . . . 0.0 110.286 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 56.97 4.88 1.13 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.531 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.24 24.08 0.1 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.437 -1.037 . . . . 0.0 108.902 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.51 ' HB1' ' NE2' ' B' ' 64' ' ' GLN . . . -157.09 107.3 2.26 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 110.367 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.73 12.69 35.93 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.159 -0.963 . . . . 0.0 109.627 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.509 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 62.5 mtp180 -117.22 21.53 13.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.555 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.77 151.47 32.4 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.291 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.27 59.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 108.775 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.79 43.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.455 -0.778 . . . . 0.0 109.345 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -125.52 132.98 52.51 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 68' ' ' THR . 4.3 t -99.94 120.87 40.47 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.299 -0.875 . . . . 0.0 111.267 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.539 ' O ' HG23 ' B' ' 69' ' ' THR . 14.5 t -114.19 123.83 50.55 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.765 ' H ' HD22 ' B' ' 56' ' ' ASN . 43.7 t -132.12 78.99 67.77 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.27 -0.894 . . . . 0.0 110.031 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.15 68.03 0.22 Allowed 'Trans proline' 0 N--CA 1.499 1.794 0 C-N-CA 123.115 2.544 . . . . 0.0 112.236 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.503 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 27.9 t90 -67.08 132.59 93.67 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 120.88 -1.137 . . . . 0.0 108.404 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -37.74 147.18 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 121.536 1.491 . . . . 0.0 111.904 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.532 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -130.42 -60.07 1.01 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.93 127.08 35.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -78.38 112.72 15.69 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.334 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -74.58 140.21 44.23 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.916 0.865 . . . . 0.0 110.198 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.721 ' O ' HG23 ' B' ' 78' ' ' THR . 6.6 t -135.28 87.49 27.92 Favored Pre-proline 0 N--CA 1.494 1.73 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -100.14 -44.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 123.225 2.617 . . . . 0.0 114.397 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.9 -45.15 29.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.214 -0.929 . . . . 0.0 113.05 -176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.557 ' CE2' ' OG1' ' B' ' 78' ' ' THR . 5.8 p90 -89.34 -29.81 18.87 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 120.501 -1.375 . . . . 0.0 112.865 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.524 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 32.3 t30 -77.02 -49.93 14.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.152 -1.593 . . . . 0.0 110.539 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.08 -45.4 93.04 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.861 -1.149 . . . . 0.0 110.252 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -45.1 93.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.039 -1.038 . . . . 0.0 108.568 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 81' ' ' TRP . 45.7 p -70.02 -39.98 75.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.348 -0.845 . . . . 0.0 108.748 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -67.56 -39.95 84.93 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 0.0 109.389 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -60.03 -40.69 90.19 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.802 -1.186 . . . . 0.0 108.281 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.63 -42.86 99.48 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.561 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.7 t90 -60.0 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.174 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.31 -40.46 95.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.244 -0.91 . . . . 0.0 109.449 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -62.9 -42.08 99.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.0 110.231 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.09 -45.26 93.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.623 -1.298 . . . . 0.0 109.255 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.49 -40.8 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.141 -0.974 . . . . 0.0 108.641 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -59.97 -47.38 86.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.464 -0.773 . . . . 0.0 110.171 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -68.59 -40.01 80.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.837 -1.165 . . . . 0.0 109.192 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.79 -41.68 91.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.26 -0.9 . . . . 0.0 108.897 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.06 -49.51 77.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.156 -0.965 . . . . 0.0 108.857 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.36 -40.01 92.73 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.517 -0.739 . . . . 0.0 109.057 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.43 -40.42 95.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.298 -0.876 . . . . 0.0 109.879 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.27 -41.42 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.031 -1.043 . . . . 0.0 108.978 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 69.2 p -60.45 -39.99 89.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 109.431 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.0 79.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.32 -0.863 . . . . 0.0 109.109 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.47 HD11 ' NH2' ' A' ' 23' ' ' ARG . 82.2 mt -63.06 -40.05 96.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.905 -1.122 . . . . 0.0 108.801 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.441 HD23 HD11 ' B' ' 18' ' ' LEU . 90.6 mt -65.64 -40.54 92.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.091 -1.006 . . . . 0.0 109.478 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.01 -49.81 76.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.165 -0.959 . . . . 0.0 108.819 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.8 -41.1 94.99 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.307 -0.871 . . . . 0.0 109.486 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.494 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -60.08 -49.58 77.1 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.116 -0.99 . . . . 0.0 109.518 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.0 -47.49 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.191 -0.943 . . . . 0.0 109.427 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -68.9 -39.99 79.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 110.12 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -60.64 -50.05 75.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.709 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -64.03 -41.58 97.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.288 -0.883 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -68.24 -39.94 82.13 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.724 -0.79 . . . . 0.0 108.975 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.95 -44.32 97.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.92 -40.0 79.3 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.276 -0.89 . . . . 0.0 108.714 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.0 -44.91 94.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.44 -0.788 . . . . 0.0 110.143 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.5 -40.58 95.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.932 -1.105 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.94 -42.69 98.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.335 -0.853 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' B' ' 123' ' ' SER . 95.5 mt-30 -61.36 -40.0 92.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -60.02 -38.78 83.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.454 -0.779 . . . . 0.0 109.463 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.44 -46.47 88.66 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -129.03 62.12 1.51 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.401 -0.812 . . . . 0.0 109.58 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.477 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.857 0 O-C-N 121.066 -1.021 . . . . 0.0 109.309 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.215 0.531 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.58 144.97 49.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 0.0 109.579 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -89.68 60.2 4.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.119 -0.988 . . . . 0.0 109.331 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -65.44 -40.03 92.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 109.468 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.501 HG23 ' N ' ' C' ' 6' ' ' LEU . 10.2 t -59.96 -42.83 94.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.094 -1.003 . . . . 0.0 109.452 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.501 ' N ' HG23 ' C' ' 5' ' ' THR . 64.6 tp -60.17 -42.53 95.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 108.835 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.1 -39.25 85.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.468 -0.77 . . . . 0.0 109.579 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.07 87.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.63 58.78 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.01 -48.9 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.424 -1.045 . . . . 0.0 109.49 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.93 -41.28 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 108.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.74 -39.97 90.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.785 . . . . 0.0 109.092 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -59.98 -41.16 91.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.473 -0.767 . . . . 0.0 109.692 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.401 ' HG3' HE21 ' A' ' 14' ' ' GLN . 96.8 mt-30 -61.81 -42.39 98.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.028 -1.045 . . . . 0.0 109.397 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.0 -45.26 93.32 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.342 -0.849 . . . . 0.0 108.999 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 27.2 mt-30 -60.48 -43.53 96.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.317 -0.865 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.88 -40.53 97.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.0 109.501 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.459 HD11 HD23 ' C' ' 104' ' ' LEU . 57.2 tp -60.02 -42.63 94.76 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.267 -0.896 . . . . 0.0 108.695 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.88 -48.11 83.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 109.856 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.419 HG11 HG11 ' A' ' 21' ' ' VAL . 65.6 t -60.48 -40.49 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 0.0 109.31 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.413 HG11 HG11 ' B' ' 20' ' ' VAL . 57.5 t -60.01 -48.34 88.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -64.92 -40.31 94.86 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.475 ' NH2' HD11 ' A' ' 103' ' ' LEU . 38.6 ttm180 -60.91 -39.82 90.77 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.13 -39.95 88.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 108.892 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.05 -41.72 92.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.8 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.88 -41.28 95.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.743 -1.223 . . . . 0.0 109.096 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.517 HD23 HD13 ' A' ' 28' ' ' LEU . 33.9 tp -60.77 -40.71 93.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.504 -0.748 . . . . 0.0 109.668 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.499 HD13 HD23 ' B' ' 27' ' ' LEU . 96.9 mt -59.95 -40.0 87.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.38 -0.825 . . . . 0.0 109.5 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.05 -40.13 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.03 -1.044 . . . . 0.0 108.725 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.586 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.0 mt -62.16 -41.26 98.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.944 . . . . 0.0 109.724 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.9 p -63.26 -40.06 96.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.035 -1.041 . . . . 0.0 109.641 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.69 -40.97 86.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.334 -0.854 . . . . 0.0 109.263 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -60.03 -43.02 95.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.422 -0.799 . . . . 0.0 110.221 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -50.24 69.84 Favored Glycine 0 N--CA 1.488 2.158 0 C-N-CA 119.646 -1.264 . . . . 0.0 110.237 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -59.98 -49.97 75.59 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -1.21 . . . . 0.0 109.909 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.62 -40.05 90.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.931 . . . . 0.0 109.642 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.735 HD21 HH21 ' C' ' 41' ' ' ARG . 39.9 t30 -60.03 -40.12 88.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.54 -40.07 90.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 109.256 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.99 -40.27 88.56 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.304 -0.872 . . . . 0.0 109.81 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.5 p -60.06 -42.63 94.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.887 -1.133 . . . . 0.0 108.764 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.735 HH21 HD21 ' C' ' 37' ' ' ASN . 29.5 mtt-85 -63.48 -39.97 95.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.16 -40.15 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.536 -0.728 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 52.9 p -60.01 -39.98 87.65 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.002 -1.061 . . . . 0.0 109.164 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -40.04 78.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.291 -1.505 . . . . 0.0 108.834 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.37 -42.53 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.511 -0.743 . . . . 0.0 111.739 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.02 -39.85 93.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.325 -1.484 . . . . 0.0 108.535 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -59.99 -42.02 93.32 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.146 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 36.6 m-85 -64.21 -39.58 94.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.235 -0.915 . . . . 0.0 109.692 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.473 ' CD2' HE22 ' B' ' 52' ' ' GLN . 44.9 mt -59.63 -39.91 85.88 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.015 -1.053 . . . . 0.0 108.567 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.19 -40.01 88.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.075 -1.015 . . . . 0.0 108.783 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.03 -41.94 93.3 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.096 -1.002 . . . . 0.0 109.641 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.456 HE22 ' CD2' ' A' ' 49' ' ' LEU . 31.4 mt-30 -61.03 -39.99 91.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.989 -1.069 . . . . 0.0 109.552 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -57.51 -32.95 67.55 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.112 -0.992 . . . . 0.0 108.599 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.77 -37.52 76.45 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 36.6 mt -68.75 114.45 7.11 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.728 HD22 ' H ' ' C' ' 70' ' ' VAL . 71.3 m-80 -133.72 -68.71 0.56 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.257 -0.902 . . . . 0.0 109.424 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.29 87.73 1.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.8 m95 -104.98 146.62 28.79 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.543 -0.723 . . . . 0.0 110.321 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 56.65 5.18 1.13 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -75.62 23.79 0.12 Allowed 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.405 -1.056 . . . . 0.0 108.845 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.502 ' HB1' ' NE2' ' C' ' 64' ' ' GLN . . . -156.76 107.38 2.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.966 . . . . 0.0 110.398 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -102.67 12.81 35.82 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.263 -0.898 . . . . 0.0 109.603 178.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 62.7 mtp180 -117.3 21.45 13.11 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.535 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.75 151.6 32.62 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.8 t -108.24 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.169 -0.957 . . . . 0.0 108.672 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.36 157.96 43.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -125.78 132.8 52.22 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -99.86 120.63 40.08 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.84 0.829 . . . . 0.0 111.253 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.536 ' O ' HG23 ' C' ' 69' ' ' THR . 15.0 t -114.02 124.02 51.11 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.728 ' H ' HD22 ' C' ' 56' ' ' ASN . 43.9 t -132.36 78.76 67.32 Favored Pre-proline 0 N--CA 1.502 2.154 0 O-C-N 121.154 -0.967 . . . . 0.0 109.931 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.94 67.87 0.21 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.055 2.504 . . . . 0.0 112.25 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.522 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 27.8 t90 -67.01 132.54 93.79 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 94.6 Cg_exo -37.52 147.28 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.572 1.514 . . . . 0.0 111.993 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.3 OUTLIER -130.55 -60.01 1.0 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.02 127.07 35.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -78.35 112.87 15.81 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.256 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.81 140.17 43.77 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.817 0.818 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.713 HG23 ' O ' ' C' ' 78' ' ' THR . 6.7 t -135.2 87.49 28.35 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -100.15 -44.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.306 2.671 . . . . 0.0 114.273 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -76.81 -45.21 29.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 0.0 112.954 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.544 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 6.2 p90 -89.57 -29.0 19.19 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 120.543 -1.348 . . . . 0.0 112.954 -177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.531 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 31.5 t30 -77.4 -50.11 13.44 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.117 -1.615 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.19 -45.13 94.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -45.26 93.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.978 -1.076 . . . . 0.0 108.643 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.413 HG23 ' O ' ' C' ' 81' ' ' TRP . 46.3 p -70.04 -39.98 75.41 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 -67.56 -39.95 84.94 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.362 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.07 -40.69 90.37 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.945 -1.097 . . . . 0.0 108.26 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.69 -42.71 99.3 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.073 -1.017 . . . . 0.0 108.283 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 70.8 t90 -59.98 -49.95 75.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.5 -0.75 . . . . 0.0 109.254 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -64.54 -40.69 96.06 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.344 -0.847 . . . . 0.0 109.531 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -62.71 -42.16 99.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.0 110.159 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.95 -45.47 92.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.634 -1.292 . . . . 0.0 109.215 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.34 -40.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.142 -0.973 . . . . 0.0 108.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.01 -46.9 87.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.455 -0.778 . . . . 0.0 110.175 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.84 -39.98 79.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.961 -1.087 . . . . 0.0 109.134 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.17 -41.69 89.96 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.867 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.97 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.07 -1.019 . . . . 0.0 108.756 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.32 -40.14 93.1 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.561 -0.712 . . . . 0.0 109.103 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.39 -40.09 95.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.891 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.49 -41.47 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.149 -0.97 . . . . 0.0 108.866 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 67.4 p -60.53 -39.93 89.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.26 -0.9 . . . . 0.0 109.463 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -48.74 80.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.841 . . . . 0.0 109.245 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.471 HD11 ' NH2' ' B' ' 23' ' ' ARG . 83.1 mt -63.24 -39.99 96.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.924 -1.11 . . . . 0.0 108.82 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.459 HD23 HD11 ' C' ' 18' ' ' LEU . 90.2 mt -65.74 -40.43 92.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 109.459 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.07 -49.93 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.113 -0.992 . . . . 0.0 108.784 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.57 -41.56 94.85 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.367 -0.833 . . . . 0.0 109.443 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.48 98.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.368 -0.832 . . . . 0.0 109.557 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -59.97 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.147 -0.971 . . . . 0.0 109.6 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.28 -47.66 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.318 -0.864 . . . . 0.0 109.287 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -68.71 -40.1 80.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 110.173 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -60.45 -50.01 75.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.153 -0.967 . . . . 0.0 109.808 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -64.29 -41.94 96.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.402 -0.812 . . . . 0.0 109.145 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -67.82 -39.97 83.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.344 -0.848 . . . . 0.0 108.977 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.07 -43.71 98.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 109.404 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.24 -39.98 78.18 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.282 -0.886 . . . . 0.0 108.739 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.04 -44.77 94.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.451 -0.781 . . . . 0.0 110.068 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.54 -40.47 94.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.039 -1.038 . . . . 0.0 109.511 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.23 -42.38 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' C' ' 123' ' ' SER . 95.7 mt-30 -61.68 -40.02 93.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 109.525 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -60.01 -38.12 81.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.428 -0.795 . . . . 0.0 109.637 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.97 -46.44 89.44 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -129.3 62.24 1.52 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.387 -0.82 . . . . 0.0 109.538 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.48 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.4 t . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.195 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -74.19 144.24 44.85 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.31 -0.869 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.73 59.19 4.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.035 -1.041 . . . . 0.0 108.801 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.485 HH12 HD22 ' A' ' 122' ' ' ASN . 87.8 mtm180 -65.03 -40.04 94.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.555 -0.715 . . . . 0.0 109.128 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.8 t -60.31 -43.87 95.95 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.394 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' A' ' 5' ' ' THR . 63.7 tp -62.55 -42.21 99.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.153 -0.967 . . . . 0.0 108.831 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.2 -40.05 92.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.558 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.38 88.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 0.0 108.543 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.64 -45.46 58.91 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.02 -47.63 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.333 -1.098 . . . . 0.0 109.418 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.99 -40.54 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.488 HE22 ' CG ' ' A' ' 16' ' ' GLN . 17.7 tm0? -61.37 -40.07 92.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 109.261 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -60.04 -44.22 94.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.358 -0.838 . . . . 0.0 109.949 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.43 -40.54 91.44 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.936 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.08 -43.12 95.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' CG ' HE22 ' A' ' 12' ' ' GLN . 28.7 mt-30 -61.74 -40.44 95.1 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.147 -0.971 . . . . 0.0 109.25 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.41 -40.39 93.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.0 109.576 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.64 -41.11 98.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 0.0 108.958 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -59.94 -49.31 78.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 109.935 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.98 -40.93 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.149 -0.97 . . . . 0.0 109.836 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.23 -43.29 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.294 -0.879 . . . . 0.0 108.932 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.14 -40.03 95.29 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.523 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 29.8 mmt180 -60.78 -40.17 91.57 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.45 -0.781 . . . . 0.0 109.403 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -60.03 -43.19 95.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.293 -0.88 . . . . 0.0 109.734 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.76 -39.97 79.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 109.338 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 tp -63.11 -40.26 97.1 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.402 -0.811 . . . . 0.0 109.172 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.408 -0.808 . . . . 0.0 109.563 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.21 -40.0 88.56 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.04 -1.038 . . . . 0.0 109.64 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 83.6 mt -62.12 -41.69 98.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 0.0 110.018 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.3 p -64.0 -39.94 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.738 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.32 -40.3 85.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.354 -0.841 . . . . 0.0 109.269 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -59.94 -43.1 95.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.833 . . . . 0.0 110.292 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.0 93.09 Favored Glycine 0 N--CA 1.489 2.173 0 C-N-CA 119.459 -1.353 . . . . 0.0 109.795 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.01 -49.24 78.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.271 -1.135 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -59.89 -40.09 87.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.07 -1.019 . . . . 0.0 109.998 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.01 -40.08 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.24 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.92 -40.09 87.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.124 -0.985 . . . . 0.0 109.025 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -59.96 -40.03 87.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.259 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.2 p -60.03 -41.2 91.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.897 -1.127 . . . . 0.0 108.4 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.586 HH21 ' ND2' ' B' ' 82' ' ' ASN . 53.3 mtt-85 -63.24 -40.07 96.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.122 -0.986 . . . . 0.0 108.573 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.95 -41.16 85.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.164 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.5 p -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.832 -1.168 . . . . 0.0 109.187 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.98 77.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.31 -44.02 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.526 -0.734 . . . . 0.0 111.013 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.21 -39.84 91.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.569 -1.332 . . . . 0.0 108.159 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -60.04 -43.15 95.53 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.129 -1.028 . . . . 0.0 108.768 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.493 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 35.4 m-85 -65.62 -40.03 92.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.919 -1.113 . . . . 0.0 109.963 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.15 -40.12 88.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.855 -1.153 . . . . 0.0 108.504 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.0 -39.71 86.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.391 -0.818 . . . . 0.0 109.173 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.695 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.883 -1.136 . . . . 0.0 108.901 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.34 78.9 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.929 -1.107 . . . . 0.0 108.431 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 0.0 108.696 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.95 117.74 11.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.102 -0.999 . . . . 0.0 108.315 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.733 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 68.7 m-80 -132.6 -62.94 0.8 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.428 -0.795 . . . . 0.0 110.647 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.798 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -155.18 116.92 4.08 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.737 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 92.1 m95 -103.34 131.45 50.4 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 65.57 20.78 68.3 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.93 -1.128 . . . . 0.0 110.619 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.1 22.75 0.11 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.883 -1.363 . . . . 0.0 109.043 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.91 107.44 1.28 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.171 -0.956 . . . . 0.0 109.473 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -108.8 11.96 25.91 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.181 -0.949 . . . . 0.0 110.208 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.2 mtp180 -141.9 25.27 1.96 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.078 -1.014 . . . . 0.0 109.004 177.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.28 152.71 39.61 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.39 59.11 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.219 -0.926 . . . . 0.0 109.228 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.04 156.22 41.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -131.25 133.26 45.27 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -91.86 114.55 27.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.918 -1.114 . . . . 0.0 109.252 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 69' ' ' THR . 6.6 t -112.7 119.89 39.64 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.733 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 85.6 t -122.71 86.13 49.56 Favored Pre-proline 0 N--CA 1.497 1.893 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -87.0 63.55 4.33 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.885 2.39 . . . . 0.0 111.868 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.431 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 17.2 t90 -70.03 136.78 87.15 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.402 -0.811 . . . . 0.0 109.148 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 86.9 Cg_exo -42.32 146.76 0.64 Allowed 'Trans proline' 0 N--CA 1.488 1.186 0 C-N-CA 120.974 1.116 . . . . 0.0 110.174 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.704 HD21 ' NE2' ' C' ' 52' ' ' GLN . 55.6 t30 -132.22 4.46 4.06 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.273 -0.892 . . . . 0.0 109.43 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.26 123.51 7.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -81.73 106.97 14.08 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.8 mt -79.11 136.66 37.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.478 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 78' ' ' THR . 8.8 t -90.43 111.58 48.12 Favored Pre-proline 0 N--CA 1.496 1.846 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -92.67 -49.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.089 0 C-N-CA 121.871 1.714 . . . . 0.0 114.838 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.19 -42.76 2.46 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.9 p90 -59.23 -50.07 75.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.169 -1.582 . . . . 0.0 111.811 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.622 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 57.0 t30 -72.99 -41.68 64.07 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.236 -1.54 . . . . 0.0 110.519 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.04 -50.13 74.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.078 -1.014 . . . . 0.0 110.518 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.91 -44.46 96.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.86 -1.15 . . . . 0.0 109.504 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.4 p -69.84 -40.05 76.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.924 . . . . 0.0 110.142 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 30.1 t-105 -66.17 -40.04 90.19 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.898 -1.126 . . . . 0.0 109.427 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -59.98 -42.97 95.34 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 120.595 -1.316 . . . . 0.0 108.114 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.98 -41.4 91.95 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.466 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 58.4 t90 -60.06 -49.29 78.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.495 -0.753 . . . . 0.0 108.981 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.62 -40.03 95.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.168 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.13 -46.66 88.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.407 -0.808 . . . . 0.0 110.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.95 -42.43 94.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.943 -1.098 . . . . 0.0 110.059 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.24 -41.97 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.881 -1.137 . . . . 0.0 108.949 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.92 -47.1 87.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.266 -0.896 . . . . 0.0 110.318 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.23 -40.01 93.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.854 -1.153 . . . . 0.0 109.737 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.84 -41.36 87.55 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 109.016 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.53 -49.21 78.46 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 108.89 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.63 -44.1 96.74 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.284 -0.885 . . . . 0.0 109.279 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.497 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.3 t-20 -60.02 -48.39 81.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 109.417 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.93 -44.75 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.329 -0.857 . . . . 0.0 109.62 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.6 p -60.07 -42.82 95.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.024 -1.047 . . . . 0.0 109.198 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.1 -47.58 85.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 0.0 108.961 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.0 -46.82 88.22 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.429 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.19 -41.2 96.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.287 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.03 -47.81 84.29 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.219 -0.926 . . . . 0.0 109.14 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.29 -40.24 93.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.21 95.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.333 -0.854 . . . . 0.0 109.53 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.97 -48.55 81.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.043 -1.035 . . . . 0.0 109.636 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.43 -46.1 93.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.228 -0.92 . . . . 0.0 109.354 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.85 -40.87 95.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.04 -49.92 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 108.804 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.99 -42.53 94.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.626 -0.671 . . . . 0.0 109.514 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -61.0 -39.96 91.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.608 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -64.51 -40.24 95.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.917 -1.114 . . . . 0.0 109.257 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 115' ' ' MET . 1.4 tmt? -69.56 -39.96 77.08 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.499 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 65.1 t80 -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.437 -0.789 . . . . 0.0 109.318 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.97 -40.05 87.77 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.932 . . . . 0.0 108.615 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.483 -0.76 . . . . 0.0 109.338 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.41 95.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.954 -1.092 . . . . 0.0 109.879 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.499 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.6 mmtm -60.07 -39.49 86.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.107 -0.995 . . . . 0.0 109.17 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.0 mt -59.38 -46.57 88.3 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.485 HD22 HH12 ' A' ' 4' ' ' ARG . 14.9 t-20 -125.0 60.11 1.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.636 -0.665 . . . . 0.0 109.318 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.166 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.413 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -73.94 144.29 45.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.23 -0.919 . . . . 0.0 109.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -88.81 59.2 4.96 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.149 -0.969 . . . . 0.0 108.67 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.48 HH12 HD22 ' B' ' 122' ' ' ASN . 87.7 mtm180 -65.23 -39.97 93.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.502 -0.749 . . . . 0.0 109.131 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.532 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.0 t -60.2 -43.95 95.53 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.303 -0.873 . . . . 0.0 109.416 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.532 ' N ' HG23 ' B' ' 5' ' ' THR . 63.6 tp -62.67 -41.97 99.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.141 -0.975 . . . . 0.0 108.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.43 -40.04 93.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.264 -0.897 . . . . 0.0 109.455 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.71 90.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.158 -0.964 . . . . 0.0 108.539 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.02 -45.63 62.02 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.95 -47.58 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.271 -1.135 . . . . 0.0 109.312 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.1 -40.39 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.479 HE22 ' CG ' ' B' ' 16' ' ' GLN . 17.8 tm0? -61.64 -39.98 93.27 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -60.05 -44.59 94.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.798 . . . . 0.0 109.844 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.13 -40.52 90.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.226 -0.921 . . . . 0.0 109.893 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.145 -0.972 . . . . 0.0 109.348 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.479 ' CG ' HE22 ' B' ' 12' ' ' GLN . 28.6 mt-30 -62.03 -40.63 96.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.0 109.21 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.3 -40.32 93.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.414 -0.804 . . . . 0.0 109.48 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.83 -40.92 98.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.223 -0.923 . . . . 0.0 109.006 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -60.02 -49.43 77.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 0.0 109.903 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -60.06 -40.86 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.847 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -43.22 92.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.298 -0.876 . . . . 0.0 108.986 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.16 -40.0 95.2 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.582 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 29.9 mmt180 -60.88 -40.06 91.58 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.18 -40.06 88.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.402 -0.811 . . . . 0.0 109.358 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -59.93 -43.38 94.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.717 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.56 -39.98 80.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.93 -1.106 . . . . 0.0 109.269 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.7 tp -63.16 -40.1 96.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.215 -0.928 . . . . 0.0 109.098 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.13 -40.27 89.21 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.66 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.32 -39.97 88.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.1 mt -62.04 -41.51 98.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.153 -0.967 . . . . 0.0 110.066 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -64.02 -40.07 95.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.0 109.77 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.18 -40.46 85.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.277 -0.889 . . . . 0.0 109.299 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.94 -43.36 95.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.442 -0.786 . . . . 0.0 110.31 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.34 -47.0 92.99 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -49.21 78.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.185 -1.185 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.96 -40.0 87.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.118 -0.989 . . . . 0.0 110.029 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.97 -40.1 87.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.103 -0.998 . . . . 0.0 109.15 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.95 -40.03 87.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.032 -1.043 . . . . 0.0 109.085 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.03 -39.87 87.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 0.0 109.407 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 44.4 p -60.16 -41.13 92.17 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.863 -1.148 . . . . 0.0 108.256 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.64 HH21 ' ND2' ' C' ' 82' ' ' ASN . 52.6 mtt-85 -63.24 -39.98 96.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.212 -0.93 . . . . 0.0 108.667 177.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -41.13 85.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.076 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.6 p -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.854 -1.154 . . . . 0.0 109.223 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.02 76.72 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.824 -1.173 . . . . 0.0 109.125 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.97 -44.19 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.363 -0.836 . . . . 0.0 111.11 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.19 -39.91 91.96 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.433 -1.417 . . . . 0.0 108.141 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -60.01 -43.19 95.4 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.194 -1.003 . . . . 0.0 108.769 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.509 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 36.0 m-85 -65.54 -39.97 92.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.937 -1.102 . . . . 0.0 110.018 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.25 -40.02 88.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.79 -1.194 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 108.529 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.02 -39.65 86.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.72 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.9 OUTLIER -59.91 -40.1 87.69 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.791 -1.193 . . . . 0.0 108.93 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.45 78.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 120.869 -1.144 . . . . 0.0 108.489 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.99 -40.06 87.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 108.768 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.67 117.63 11.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 0.0 108.402 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.72 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 68.7 m-80 -132.55 -63.22 0.8 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.362 -0.836 . . . . 0.0 110.597 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.97 116.68 4.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.111 -0.993 . . . . 0.0 110.349 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.794 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 92.0 m95 -102.98 131.71 49.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.559 -0.713 . . . . 0.0 110.229 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.54 20.56 68.02 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.915 -1.136 . . . . 0.0 110.567 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.16 23.01 0.11 Allowed 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.939 -1.33 . . . . 0.0 109.136 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -162.02 107.41 1.26 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -108.5 11.83 26.55 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.133 -0.979 . . . . 0.0 110.231 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.538 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 56.0 mtp180 -141.95 25.57 1.93 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.098 -1.001 . . . . 0.0 109.017 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.56 152.7 39.37 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -103.4 59.42 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 109.295 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.51 156.16 40.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.45 -0.782 . . . . 0.0 109.403 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -131.43 133.44 45.21 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.519 HG23 ' O ' ' B' ' 68' ' ' THR . 6.2 t -92.09 114.75 27.38 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.9 -1.125 . . . . 0.0 109.276 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.513 ' O ' HG23 ' B' ' 69' ' ' THR . 6.7 t -112.93 119.9 39.55 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.72 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 87.3 t -122.91 86.06 50.49 Favored Pre-proline 0 N--CA 1.496 1.842 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.11 63.28 4.21 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.902 2.401 . . . . 0.0 111.93 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.435 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 16.7 t90 -69.7 136.78 87.94 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.186 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.435 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 86.3 Cg_exo -42.45 146.56 0.71 Allowed 'Trans proline' 0 N--CA 1.487 1.129 0 C-N-CA 120.899 1.066 . . . . 0.0 110.309 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.695 HD21 ' NE2' ' A' ' 52' ' ' GLN . 55.7 t30 -131.94 4.24 4.13 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.355 -0.841 . . . . 0.0 109.498 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.41 7.83 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.5 107.18 14.05 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -79.21 136.94 37.23 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.664 ' O ' HG23 ' B' ' 78' ' ' THR . 9.0 t -90.57 111.69 49.0 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.63 -49.52 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.163 0 C-N-CA 121.63 1.553 . . . . 0.0 114.73 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.14 -42.98 2.45 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.9 p90 -59.02 -50.03 75.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.182 -1.574 . . . . 0.0 111.729 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.639 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.1 t30 -72.87 -41.94 64.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.215 -1.553 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.99 -50.08 75.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.993 . . . . 0.0 110.679 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.07 -44.39 96.79 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.782 -1.199 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 47.5 p -70.08 -39.97 75.28 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.213 -0.929 . . . . 0.0 110.16 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.458 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 30.1 t-105 -66.18 -39.96 90.11 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.84 -1.162 . . . . 0.0 109.369 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.05 -42.83 95.3 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 120.567 -1.333 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.14 -41.55 92.95 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.458 ' CZ3' ' CZ2' ' B' ' 86' ' ' TRP . 59.0 t90 -60.01 -48.74 80.46 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.507 -0.746 . . . . 0.0 109.183 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.23 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.091 -1.006 . . . . 0.0 109.131 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.97 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.355 -0.841 . . . . 0.0 110.268 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -59.96 -42.27 93.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.884 -1.135 . . . . 0.0 110.002 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.08 -42.13 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.932 -1.105 . . . . 0.0 109.057 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 58.3 t0 -59.98 -46.86 88.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.375 -0.828 . . . . 0.0 110.497 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.55 -39.94 92.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.846 -1.159 . . . . 0.0 109.703 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.63 -41.62 88.05 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.177 -1.009 . . . . 0.0 109.026 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.19 -49.21 78.52 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.128 -0.983 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.86 -43.73 97.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.304 -0.872 . . . . 0.0 109.42 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.523 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 27.4 t-20 -60.07 -48.37 82.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.441 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.05 -44.88 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.344 -0.847 . . . . 0.0 109.603 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -59.93 -42.9 94.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.153 -0.967 . . . . 0.0 109.199 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.14 -47.73 84.7 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.155 -0.965 . . . . 0.0 108.748 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.93 -46.72 88.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.425 -0.797 . . . . 0.0 109.544 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.28 -41.14 96.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.244 -0.91 . . . . 0.0 109.257 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.03 -47.83 84.24 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.274 -0.891 . . . . 0.0 109.151 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.38 -40.08 93.06 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.22 94.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.286 -0.884 . . . . 0.0 109.502 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.06 -48.73 80.52 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.12 -46.34 93.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.228 -0.92 . . . . 0.0 109.155 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.48 -40.99 96.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -59.94 -50.09 75.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.154 -0.967 . . . . 0.0 108.875 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.04 -42.35 94.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.531 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -61.18 -39.99 92.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.219 -0.926 . . . . 0.0 109.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.34 -40.01 95.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.978 -1.076 . . . . 0.0 109.234 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . 0.414 ' SD ' ' C ' ' B' ' 115' ' ' MET . 1.4 tmt? -69.74 -40.05 76.4 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . 0.476 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 65.2 t80 -59.99 -47.25 86.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.452 -0.78 . . . . 0.0 109.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.99 -40.19 88.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.362 -0.836 . . . . 0.0 109.446 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.2 mt-30 -60.28 -42.3 95.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.921 -1.112 . . . . 0.0 109.877 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . 0.476 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.7 mmtm -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.111 -0.993 . . . . 0.0 109.13 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 121' ' ' LEU . 83.5 mt -59.33 -46.81 87.58 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . 0.48 HD22 HH12 ' B' ' 4' ' ' ARG . 15.1 t-20 -124.7 59.93 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.683 -0.636 . . . . 0.0 109.537 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.6 t . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.468 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.244 0.545 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 88.1 mt-30 -74.11 144.32 44.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.211 -0.931 . . . . 0.0 109.239 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -88.8 59.16 4.94 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.037 -1.039 . . . . 0.0 108.655 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.49 HH12 HD22 ' C' ' 122' ' ' ASN . 87.8 mtm180 -65.02 -39.94 94.13 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.492 -0.755 . . . . 0.0 109.177 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.524 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.2 t -60.31 -43.96 95.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.353 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.524 ' N ' HG23 ' C' ' 5' ' ' THR . 62.8 tp -62.56 -42.1 99.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 108.697 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.3 -40.1 92.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.32 -0.862 . . . . 0.0 109.616 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.27 88.48 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.207 -0.933 . . . . 0.0 108.554 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.51 -45.37 60.06 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -47.73 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.398 -1.06 . . . . 0.0 109.365 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.96 -40.42 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.486 HE22 ' CG ' ' C' ' 16' ' ' GLN . 17.7 tm0? -61.63 -40.0 93.31 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -60.06 -44.05 94.98 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.862 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.95 -40.46 93.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.34 -0.85 . . . . 0.0 109.803 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -42.77 94.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.008 -1.057 . . . . 0.0 109.197 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.486 ' CG ' HE22 ' C' ' 12' ' ' GLN . 28.7 mt-30 -62.23 -40.06 94.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.73 -40.13 91.86 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.273 -0.892 . . . . 0.0 109.391 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.9 -40.78 98.62 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -60.0 -49.63 76.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 0.0 109.862 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.98 -40.94 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.04 -1.038 . . . . 0.0 109.79 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.02 -43.16 91.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.231 -0.918 . . . . 0.0 108.871 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.13 -40.29 95.85 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.497 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 30.0 mmt180 -60.53 -40.18 90.56 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.18 -40.09 88.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.319 -0.863 . . . . 0.0 109.302 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -59.94 -43.25 95.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.234 -0.916 . . . . 0.0 109.616 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.65 -39.97 80.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.941 -1.099 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.0 -40.16 96.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 109.182 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.13 -40.09 88.57 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.553 -0.717 . . . . 0.0 109.711 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.57 -40.04 90.2 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.066 -1.021 . . . . 0.0 109.599 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 83.6 mt -61.93 -41.64 98.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 109.967 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.6 p -63.97 -40.0 95.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.755 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.25 -40.46 86.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 0.0 109.291 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.01 -42.83 95.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -0.84 . . . . 0.0 110.377 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -46.53 93.99 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.18 -49.33 78.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.117 -1.225 . . . . 0.0 109.966 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -60.02 -39.96 87.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.087 -1.008 . . . . 0.0 109.986 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -59.93 -40.1 87.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.922 -1.111 . . . . 0.0 109.363 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.02 -40.01 87.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.149 -0.969 . . . . 0.0 108.994 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.98 -39.96 87.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.439 -0.788 . . . . 0.0 109.386 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.2 p -59.99 -41.06 91.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.873 -1.142 . . . . 0.0 108.431 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.59 HH21 ' ND2' ' A' ' 82' ' ' ASN . 52.4 mtt-85 -63.52 -40.02 95.95 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.94 -40.72 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.404 -0.81 . . . . 0.0 109.147 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 80.6 p -60.44 -39.97 89.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.867 -1.145 . . . . 0.0 109.246 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.56 -40.05 77.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.847 -1.158 . . . . 0.0 109.041 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.41 -43.72 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.411 -0.806 . . . . 0.0 111.05 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.48 -39.92 92.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.399 -1.438 . . . . 0.0 108.105 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.98 -43.4 95.13 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.285 -0.966 . . . . 0.0 108.523 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.498 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 35.5 m-85 -65.33 -40.19 93.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.91 -1.119 . . . . 0.0 110.046 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.05 -40.03 88.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.758 -1.214 . . . . 0.0 109.144 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.845 -1.159 . . . . 0.0 108.515 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 48.9 t0 -59.93 -39.72 86.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.437 -0.789 . . . . 0.0 109.127 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.704 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -59.98 -39.41 85.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.969 -1.082 . . . . 0.0 108.932 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.43 80.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.996 -1.065 . . . . 0.0 108.39 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.93 -40.12 87.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.0 108.74 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.65 118.02 11.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.031 -1.043 . . . . 0.0 108.339 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.727 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 69.1 m-80 -132.9 -63.0 0.79 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.359 -0.838 . . . . 0.0 110.466 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.794 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -155.05 116.88 4.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.197 -0.94 . . . . 0.0 110.3 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.798 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 92.3 m95 -103.16 131.42 50.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.481 -0.762 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.59 20.43 67.98 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.044 -1.075 . . . . 0.0 110.62 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -74.83 23.24 0.1 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.927 -1.337 . . . . 0.0 108.985 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -162.4 107.42 1.19 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -108.75 11.77 26.13 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.164 -0.96 . . . . 0.0 110.233 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.567 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 56.3 mtp180 -142.09 25.8 1.89 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.124 -0.985 . . . . 0.0 108.878 177.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -146.79 152.29 38.53 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.3 t -103.09 59.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.254 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.1 156.29 41.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.369 -0.832 . . . . 0.0 109.445 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -131.53 133.11 44.73 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.535 ' O ' HG23 ' C' ' 68' ' ' THR . 6.0 t -91.92 114.62 27.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.832 -1.168 . . . . 0.0 109.376 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.525 ' O ' HG23 ' C' ' 69' ' ' THR . 6.7 t -112.81 120.02 40.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.727 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 84.9 t -122.95 86.18 50.65 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -86.97 63.34 4.34 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.984 2.456 . . . . 0.0 111.88 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.442 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 16.6 t90 -69.92 136.61 87.44 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.444 -0.785 . . . . 0.0 109.172 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.442 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 87.2 Cg_exo -42.25 146.86 0.6 Allowed 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 120.909 1.073 . . . . 0.0 110.218 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.72 HD21 ' NE2' ' B' ' 52' ' ' GLN . 55.1 t30 -132.28 4.11 4.01 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.92 123.09 7.66 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.564 -0.71 . . . . 0.0 109.159 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -81.14 107.33 13.85 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -79.17 136.73 37.19 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.664 HG23 ' O ' ' C' ' 78' ' ' THR . 8.8 t -90.41 111.78 49.2 Favored Pre-proline 0 N--CA 1.493 1.702 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -92.56 -49.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.74 1.626 . . . . 0.0 114.792 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -121.17 -42.61 2.47 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.198 -0.939 . . . . 0.0 113.528 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.0 p90 -59.29 -49.97 75.78 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.17 -1.581 . . . . 0.0 111.757 -175.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.64 ' ND2' HH21 ' B' ' 41' ' ' ARG . 57.4 t30 -72.98 -41.76 64.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.109 -1.619 . . . . 0.0 110.635 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.01 -50.01 75.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 110.441 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.23 -44.3 96.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.846 -1.158 . . . . 0.0 109.526 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 47.3 p -70.0 -39.97 75.55 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.025 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.466 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 30.1 t-105 -66.32 -39.96 89.63 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.824 -1.172 . . . . 0.0 109.351 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.05 -42.93 95.55 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.114 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.0 -41.54 92.3 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.474 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.6 t90 -60.04 -49.42 77.72 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.4 -40.19 95.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 109.268 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -59.99 -46.36 89.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.307 -0.87 . . . . 0.0 110.375 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.02 -42.14 93.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.925 -1.11 . . . . 0.0 110.047 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.61 -41.96 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.961 -1.087 . . . . 0.0 108.933 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -60.0 -47.07 87.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -65.24 -40.05 93.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.784 -1.197 . . . . 0.0 109.853 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.51 -41.6 88.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.017 -1.052 . . . . 0.0 109.106 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.26 -49.16 78.71 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.206 -0.934 . . . . 0.0 109.001 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.79 -44.16 97.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.303 -0.873 . . . . 0.0 109.26 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.582 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.2 t-20 -60.04 -48.15 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.295 -0.878 . . . . 0.0 109.507 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.0 -44.84 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.198 -0.939 . . . . 0.0 109.539 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 41.3 p -60.02 -42.51 94.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.63 85.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.106 -0.996 . . . . 0.0 108.816 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.96 -46.5 89.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.532 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.5 -41.08 96.74 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.225 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -59.98 -47.91 83.87 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.204 -0.935 . . . . 0.0 109.199 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.29 -39.94 93.18 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.264 -0.898 . . . . 0.0 109.299 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.19 94.79 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.35 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.01 -48.64 80.89 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.077 -1.014 . . . . 0.0 109.535 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.11 -46.32 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.133 -0.979 . . . . 0.0 109.263 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.498 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.907 . . . . 0.0 108.868 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.2 -42.62 95.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.577 -0.702 . . . . 0.0 109.408 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -60.84 -39.97 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.6 -39.91 94.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.034 -1.041 . . . . 0.0 109.318 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . 0.424 ' SD ' ' C ' ' C' ' 115' ' ' MET . 1.4 tmt? -69.88 -40.02 75.94 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . 0.431 ' OH ' ' NZ ' ' C' ' 120' ' ' LYS . 64.8 t80 -59.96 -47.25 86.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.463 -0.773 . . . . 0.0 109.399 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.01 -40.0 87.75 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.03 -40.16 88.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.48 -0.763 . . . . 0.0 109.473 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.2 mt-30 -60.36 -42.61 96.12 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.109 -0.995 . . . . 0.0 109.997 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . 0.431 ' NZ ' ' OH ' ' C' ' 116' ' ' TYR . 39.8 mmtm -59.94 -38.69 83.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.963 . . . . 0.0 109.381 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 121' ' ' LEU . 83.0 mt -59.96 -46.68 88.63 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . 0.49 HD22 HH12 ' C' ' 4' ' ' ARG . 15.3 t-20 -124.86 60.2 1.2 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.504 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.259 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' B' ' 2' ' ' GLN . 26.2 mm100 -69.69 143.87 53.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.565 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -90.56 61.42 4.89 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.249 -0.907 . . . . 0.0 109.196 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.35 -39.95 94.81 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.895 . . . . 0.0 109.332 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 6' ' ' LEU . 5.4 t -60.2 -45.6 92.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.186 -0.946 . . . . 0.0 109.7 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 5' ' ' THR . 58.7 tp -60.17 -43.13 96.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.12 -0.988 . . . . 0.0 108.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.76 -40.0 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.498 -0.751 . . . . 0.0 109.765 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 12' ' ' GLN . . . -59.76 -43.74 94.17 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.014 -1.054 . . . . 0.0 108.402 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' B' ' 110' ' ' GLN . . . -63.73 -47.23 88.46 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.625 -1.79 . . . . 0.0 108.625 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.72 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.349 -1.089 . . . . 0.0 109.446 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.02 -47.87 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.005 -1.059 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' N ' ' NE2' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -59.95 -40.0 87.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.145 -0.972 . . . . 0.0 109.692 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.48 92.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.033 . . . . 0.0 109.166 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.95 -41.17 95.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.942 -1.099 . . . . 0.0 109.142 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.08 -43.8 95.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -41.16 97.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.214 -0.929 . . . . 0.0 109.469 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -41.96 99.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.013 -1.054 . . . . 0.0 109.327 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.0 -45.07 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.09 -47.2 86.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.06 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.42 -40.47 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.989 -1.069 . . . . 0.0 109.838 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.97 -41.54 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.17 -0.956 . . . . 0.0 108.934 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.44 -40.46 94.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.536 -0.727 . . . . 0.0 109.134 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 33.1 mmt180 -60.25 -40.6 90.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.219 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.46 -39.91 89.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.211 -0.93 . . . . 0.0 109.32 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -60.12 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.0 109.39 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.86 -43.84 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.23 -0.919 . . . . 0.0 109.665 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.82 -40.1 94.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.903 . . . . 0.0 109.705 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -60.04 -40.42 89.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.65 -40.24 91.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.23 -0.919 . . . . 0.0 110.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 90.9 mt -62.73 -40.54 97.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.062 -1.024 . . . . 0.0 110.041 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 p -62.96 -39.95 96.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.928 -1.108 . . . . 0.0 109.807 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.13 -39.99 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.319 -0.863 . . . . 0.0 109.102 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -60.06 -42.33 94.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 110.32 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.03 -47.37 91.35 Favored Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.672 -1.251 . . . . 0.0 110.137 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.92 -49.92 75.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.109 -1.23 . . . . 0.0 109.309 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 0.0 109.922 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.669 HD21 HH21 ' A' ' 41' ' ' ARG . 51.7 t-20 -59.88 -40.09 87.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.965 -1.084 . . . . 0.0 109.373 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.17 -40.14 92.76 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.03 -1.044 . . . . 0.0 109.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.92 -40.4 88.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.095 -1.003 . . . . 0.0 109.77 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.9 p -60.03 -40.17 88.44 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.669 HH21 HD21 ' A' ' 37' ' ' ASN . 27.4 mtt-85 -63.06 -40.03 96.47 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.91 -40.88 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.247 -0.908 . . . . 0.0 108.861 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.0 p -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.5 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.12 85.22 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.422 -1.424 . . . . 0.0 108.454 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.12 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 0.0 109.689 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.04 -40.04 88.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.068 -1.02 . . . . 0.0 109.313 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.84 -39.94 95.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.384 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 44.4 m-85 -65.24 -39.19 92.38 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.04 -39.6 86.48 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.952 -1.093 . . . . 0.0 108.392 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.09 -39.92 87.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.568 -1.333 . . . . 0.0 108.291 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 51' ' ' ASP . 54.2 t0 -60.14 -38.4 82.97 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.05 -39.89 83.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.114 -0.992 . . . . 0.0 109.187 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.626 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.02 -38.67 83.37 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 120.756 -1.215 . . . . 0.0 108.376 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -59.96 -40.01 87.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.802 . . . . 0.0 110.087 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.91 114.21 13.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.892 -1.13 . . . . 0.0 109.192 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.755 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 72.0 m-80 -133.5 -55.28 0.9 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.389 -0.82 . . . . 0.0 110.242 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.653 ' HB3' HG23 ' A' ' 68' ' ' THR . . . -155.57 115.79 3.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.066 -1.021 . . . . 0.0 110.029 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -102.1 118.87 37.82 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.364 -0.835 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.17 27.66 73.53 Favored Glycine 0 N--CA 1.494 2.525 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.166 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 21.99 0.1 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.545 -1.562 . . . . 0.0 109.289 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -161.52 114.31 1.85 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.146 -0.971 . . . . 0.0 109.474 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.477 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 34.5 m-85 -115.05 11.8 16.53 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.399 -0.813 . . . . 0.0 110.524 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 51.3 mtp180 -140.09 25.46 2.29 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.935 -1.103 . . . . 0.0 108.081 177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 42.2 mt-30 -141.7 152.89 44.27 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.17 56.45 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.65 156.17 40.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.493 -0.755 . . . . 0.0 109.437 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -132.02 133.24 44.21 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -91.02 110.1 21.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.294 -179.262 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 69' ' ' THR . 9.1 t -118.43 122.79 43.63 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.755 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 85.8 t -126.56 85.7 59.88 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.528 -0.732 . . . . 0.0 109.921 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -86.95 60.82 4.08 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 C-N-CA 122.692 2.261 . . . . 0.0 111.019 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 16.0 t90 -69.97 135.45 87.45 Favored Pre-proline 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 109.353 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 99.1 Cg_exo -40.28 150.09 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.441 1.427 . . . . 0.0 110.626 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.578 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 38.5 t30 -127.31 -57.12 1.31 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.287 -0.883 . . . . 0.0 109.605 -178.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.29 126.68 35.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.027 -1.046 . . . . 0.0 108.548 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.7 p -80.93 110.75 16.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.872 -1.142 . . . . 0.0 108.043 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.4 mt -79.55 135.09 36.52 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.491 0.662 . . . . 0.0 110.243 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 78' ' ' THR . 6.4 t -93.5 113.7 60.92 Favored Pre-proline 0 N--CA 1.493 1.721 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -92.18 -48.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.744 1.629 . . . . 0.0 114.418 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -121.47 -43.93 2.38 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 4.8 p90 -60.04 -47.33 86.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.366 -1.459 . . . . 0.0 112.415 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.638 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 61.6 t30 -71.15 -45.04 64.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.012 -1.68 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.553 HD21 ' NE2' ' A' ' 87' ' ' GLN . 47.4 t30 -60.0 -50.0 75.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.051 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.12 -44.54 97.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.783 -1.198 . . . . 0.0 109.404 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.8 p -69.95 -40.07 75.68 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.099 -1.001 . . . . 0.0 109.853 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -69.05 -40.09 78.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.987 -1.07 . . . . 0.0 109.497 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.553 ' NE2' HD21 ' A' ' 83' ' ' ASN . 91.4 mt-30 -60.02 -41.31 91.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.687 -1.258 . . . . 0.0 108.846 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.04 -40.11 94.64 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.049 -1.032 . . . . 0.0 108.64 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.449 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 58.7 t90 -59.99 -50.05 75.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.444 -0.785 . . . . 0.0 109.18 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -63.15 -41.76 99.34 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.15 -0.969 . . . . 0.0 109.612 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.04 -42.42 94.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.0 -42.26 93.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.836 -1.165 . . . . 0.0 108.941 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.8 -40.75 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.352 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.54 -40.28 90.97 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.116 -0.99 . . . . 0.0 110.893 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.79 -40.05 79.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.851 -1.156 . . . . 0.0 109.755 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.38 -40.28 89.6 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 109.518 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.29 -44.36 95.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.964 -1.085 . . . . 0.0 109.771 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -47.4 85.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.107 -0.996 . . . . 0.0 109.417 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.519 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 28.7 t-20 -59.97 -46.59 88.94 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.197 -0.939 . . . . 0.0 109.604 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.04 -44.69 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.259 -0.9 . . . . 0.0 109.687 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 p -60.34 -42.37 95.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.735 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.081 -1.012 . . . . 0.0 109.505 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.99 -45.62 92.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.434 -0.791 . . . . 0.0 109.506 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -41.59 92.39 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.164 -0.96 . . . . 0.0 109.497 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.02 -46.64 88.83 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.107 -0.996 . . . . 0.0 109.708 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.62 -40.43 95.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.048 -1.032 . . . . 0.0 109.475 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.73 86.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.262 -0.899 . . . . 0.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.443 ' O ' ' OE1' ' A' ' 112' ' ' GLU . 94.9 mt-30 -60.79 -43.67 97.8 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.115 -0.991 . . . . 0.0 109.727 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.86 -39.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.926 -1.109 . . . . 0.0 109.22 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' C' ' 9' ' ' GLY . 63.1 tt0 -69.56 -39.98 77.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.583 -0.698 . . . . 0.0 109.936 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.99 -49.22 78.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.151 -0.968 . . . . 0.0 109.972 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.566 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.3 mp0 -60.02 -43.14 95.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.984 -1.073 . . . . 0.0 109.258 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -61.01 -41.43 96.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.058 -1.026 . . . . 0.0 110.18 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -62.37 -48.43 79.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.825 -1.172 . . . . 0.0 109.834 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.98 -39.91 95.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.094 -1.004 . . . . 0.0 109.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -60.03 -47.28 86.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.31 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.19 -40.07 96.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.91 . . . . 0.0 109.21 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.07 -42.86 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.2 mt-30 -61.27 -40.03 92.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.092 -1.005 . . . . 0.0 109.666 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.49 -40.06 89.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.334 -0.854 . . . . 0.0 109.634 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.24 -46.92 87.19 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.77 60.54 0.9 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 119' ' ' GLN . 4.4 p . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.114 -0.991 . . . . 0.0 109.225 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 25.9 mm100 -70.03 143.86 52.39 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -90.47 61.52 4.98 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.282 -0.886 . . . . 0.0 109.278 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -62.29 -40.02 94.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 109.404 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.513 HG23 ' N ' ' B' ' 6' ' ' LEU . 5.5 t -60.29 -45.39 93.5 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.513 ' N ' HG23 ' B' ' 5' ' ' THR . 59.1 tp -60.35 -43.26 96.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.01 -1.056 . . . . 0.0 108.76 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.55 -39.96 89.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.499 -0.75 . . . . 0.0 109.885 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' B' ' 12' ' ' GLN . . . -59.95 -43.6 94.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.131 -0.981 . . . . 0.0 108.473 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' C' ' 110' ' ' GLN . . . -63.76 -47.36 87.14 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.98 -49.71 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.407 -1.055 . . . . 0.0 109.43 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.95 -47.62 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.022 -1.049 . . . . 0.0 109.469 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 12' ' ' GLN . 0.2 OUTLIER -60.15 -40.07 88.57 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.111 -0.993 . . . . 0.0 109.501 179.412 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.96 -41.4 91.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.078 -1.014 . . . . 0.0 109.187 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -61.12 -41.07 96.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.23 -43.55 95.96 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.267 -0.896 . . . . 0.0 109.181 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -41.14 96.97 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.312 -0.867 . . . . 0.0 109.577 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.11 -42.3 99.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.969 . . . . 0.0 109.322 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.01 -44.88 94.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.277 -0.89 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.03 -47.25 86.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.03 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.43 -40.56 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.09 -1.006 . . . . 0.0 109.812 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.98 -41.2 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.115 -0.99 . . . . 0.0 109.103 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.72 -40.19 94.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.439 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 33.4 mmt180 -60.64 -40.54 92.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 109.064 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.51 -39.99 89.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 109.239 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -60.04 -49.12 78.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.43 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.28 -43.55 98.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.06 -40.02 94.38 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 109.693 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.95 -40.53 89.32 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.388 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.65 -40.3 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.109 -0.994 . . . . 0.0 110.038 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.452 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.7 mt -62.62 -40.5 97.18 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.145 -0.972 . . . . 0.0 110.047 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.6 p -63.04 -40.0 96.42 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.957 -1.089 . . . . 0.0 109.842 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.16 -40.05 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -0.905 . . . . 0.0 109.009 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -60.07 -42.28 94.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.44 -0.787 . . . . 0.0 110.214 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.31 91.61 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.626 -1.273 . . . . 0.0 110.141 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.01 -49.82 76.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.057 -1.261 . . . . 0.0 109.434 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.04 -39.96 87.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.0 109.877 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.653 HD21 HH21 ' B' ' 41' ' ' ARG . 51.6 t-20 -60.02 -39.99 87.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.035 -1.041 . . . . 0.0 109.426 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.15 -40.2 92.95 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.088 -1.007 . . . . 0.0 109.857 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.95 -40.26 88.41 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.031 -1.043 . . . . 0.0 109.724 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -59.98 -40.6 89.68 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.653 HH21 HD21 ' B' ' 37' ' ' ASN . 27.5 mtt-85 -62.86 -39.91 95.84 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.01 -40.83 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.18 -0.95 . . . . 0.0 108.914 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.2 p -59.94 -40.05 87.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.032 -1.043 . . . . 0.0 108.461 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.17 84.5 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.433 -1.417 . . . . 0.0 108.445 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.17 -39.92 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.507 -0.745 . . . . 0.0 109.591 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.14 -40.02 88.36 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.084 -1.01 . . . . 0.0 109.336 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.78 -40.03 95.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.827 -1.171 . . . . 0.0 109.435 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 44.8 m-85 -65.1 -39.14 92.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.052 -1.03 . . . . 0.0 109.792 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.97 -1.081 . . . . 0.0 108.386 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.582 -1.324 . . . . 0.0 108.362 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.02 -38.72 83.49 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.643 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -58.78 -39.98 82.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.071 -1.018 . . . . 0.0 109.122 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.643 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -59.97 -38.65 83.16 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 120.735 -1.228 . . . . 0.0 108.359 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.97 -40.07 87.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.367 -0.833 . . . . 0.0 110.025 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 55.2 mt -74.92 113.84 12.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.251 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.759 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 72.5 m-80 -133.23 -55.36 0.91 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.454 -0.779 . . . . 0.0 110.26 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.635 ' HB3' HG23 ' B' ' 68' ' ' THR . . . -155.48 115.68 3.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.095 -1.003 . . . . 0.0 109.988 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -101.99 118.94 37.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.424 -0.797 . . . . 0.0 110.376 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.08 27.64 73.52 Favored Glycine 0 N--CA 1.494 2.515 0 C-N-CA 120.188 -1.006 . . . . 0.0 111.107 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 22.19 0.1 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.448 -1.619 . . . . 0.0 109.311 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -161.68 114.18 1.8 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.286 -0.884 . . . . 0.0 109.498 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.505 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 34.7 m-85 -114.98 11.74 16.58 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.326 -0.859 . . . . 0.0 110.568 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' C' ' 63' ' ' ARG . 52.2 mtp180 -140.13 25.44 2.28 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 42.0 mt-30 -141.59 152.84 44.39 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.26 56.54 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.5 156.03 40.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.532 -0.73 . . . . 0.0 109.528 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -131.75 133.3 44.64 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.635 HG23 ' HB3' ' B' ' 57' ' ' ALA . 0.0 OUTLIER -91.21 109.96 21.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.63 -1.294 . . . . 0.0 109.331 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.526 ' O ' HG23 ' B' ' 69' ' ' THR . 8.9 t -118.45 122.68 43.35 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.759 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 87.1 t -126.33 85.82 59.32 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.618 -0.676 . . . . 0.0 109.869 -178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.89 60.74 4.12 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 122.677 2.252 . . . . 0.0 110.944 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' B' ' 73' ' ' PRO . 16.0 t90 -69.98 135.54 87.43 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 121.642 -0.661 . . . . 0.0 109.25 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.7 Cg_exo -40.37 150.17 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.412 1.408 . . . . 0.0 110.506 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.55 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 38.9 t30 -127.31 -57.37 1.3 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.241 -0.912 . . . . 0.0 109.49 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.02 126.84 35.6 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.134 -0.979 . . . . 0.0 108.536 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -81.0 110.78 16.87 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.92 -1.112 . . . . 0.0 108.038 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -79.64 134.95 36.45 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.616 0.722 . . . . 0.0 110.272 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.568 ' O ' HG23 ' B' ' 78' ' ' THR . 6.6 t -93.43 113.66 60.77 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -92.17 -48.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.849 1.7 . . . . 0.0 114.379 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -121.56 -43.98 2.37 Favored 'General case' 0 N--CA 1.508 2.443 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.644 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.7 p90 -59.96 -47.48 85.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.345 -1.472 . . . . 0.0 112.322 -175.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.644 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 61.5 t30 -71.16 -45.02 64.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.013 -1.68 . . . . 0.0 109.991 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.554 HD21 ' NE2' ' B' ' 87' ' ' GLN . 47.4 t30 -59.97 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.849 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.32 -44.28 97.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.829 -1.169 . . . . 0.0 109.571 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 81' ' ' TRP . 74.7 p -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.074 -1.016 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -69.3 -39.97 77.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.04 -1.037 . . . . 0.0 109.483 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . 0.554 ' NE2' HD21 ' B' ' 83' ' ' ASN . 91.4 mt-30 -60.0 -41.48 92.18 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 120.801 -1.187 . . . . 0.0 108.854 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.0 -40.12 94.57 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.117 -0.989 . . . . 0.0 108.621 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.461 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.0 t90 -59.95 -50.01 75.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.521 -0.737 . . . . 0.0 109.18 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -63.24 -41.84 99.14 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.334 -0.853 . . . . 0.0 109.522 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -60.08 -42.25 94.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.193 -0.942 . . . . 0.0 110.47 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.1 -42.17 94.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.702 -1.248 . . . . 0.0 108.974 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.89 -40.53 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.228 -0.92 . . . . 0.0 109.343 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.84 -40.02 91.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.132 -0.98 . . . . 0.0 110.836 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -69.0 -40.02 78.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.818 -1.176 . . . . 0.0 109.673 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.5 -40.37 89.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.119 -0.988 . . . . 0.0 109.571 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -44.27 96.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.977 -1.077 . . . . 0.0 109.832 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.48 85.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.092 -1.005 . . . . 0.0 109.459 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.559 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.6 t-20 -59.96 -46.53 89.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.324 -0.86 . . . . 0.0 109.667 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.04 -44.58 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.263 -0.898 . . . . 0.0 109.716 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 37.7 p -60.54 -42.5 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.983 -1.073 . . . . 0.0 109.734 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.08 78.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 109.45 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.9 mt -59.97 -45.59 92.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 0.0 109.728 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.08 -41.65 92.91 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.324 -0.86 . . . . 0.0 109.36 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.01 -46.84 88.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.612 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.41 -40.76 96.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.983 -1.073 . . . . 0.0 109.486 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.25 87.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.234 -0.916 . . . . 0.0 109.586 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' B' ' 112' ' ' GLU . 95.1 mt-30 -60.45 -43.61 96.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 109.85 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.0 -39.96 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.865 -1.147 . . . . 0.0 109.212 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 9' ' ' GLY . 63.0 tt0 -69.53 -39.99 77.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.528 -0.732 . . . . 0.0 109.96 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -60.03 -49.12 78.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 0.0 109.93 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' B' ' 112' ' ' GLU . 3.3 mp0 -60.07 -43.0 95.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.059 -1.026 . . . . 0.0 109.262 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -61.12 -41.46 96.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.099 -1.0 . . . . 0.0 110.114 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -62.46 -48.38 79.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.822 -1.174 . . . . 0.0 109.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 56.6 ttp -63.84 -40.01 95.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.157 -0.965 . . . . 0.0 109.131 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -60.1 -47.16 87.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.383 -0.823 . . . . 0.0 109.303 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.12 -40.26 97.08 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.148 -0.97 . . . . 0.0 109.246 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.1 -42.84 95.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.364 -0.835 . . . . 0.0 109.887 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.2 mt-30 -61.36 -39.98 92.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.966 -1.084 . . . . 0.0 109.645 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.32 -39.99 88.99 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.434 -0.791 . . . . 0.0 109.692 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.56 -46.86 87.67 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -120.82 60.73 0.9 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 119' ' ' GLN . 4.3 p . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.088 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.408 ' OE1' ' OE1' ' A' ' 2' ' ' GLN . 26.1 mm100 -69.95 143.92 52.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.281 -0.887 . . . . 0.0 109.641 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -90.47 61.38 4.93 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.303 -0.873 . . . . 0.0 109.208 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.46 -40.03 95.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 109.417 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' C' ' 6' ' ' LEU . 5.7 t -60.19 -45.45 93.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.117 -0.989 . . . . 0.0 109.732 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' C' ' 5' ' ' THR . 58.7 tp -60.12 -43.34 95.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.905 -1.122 . . . . 0.0 108.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.68 -39.84 89.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 0.0 109.772 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . 0.412 ' O ' ' CD ' ' C' ' 12' ' ' GLN . . . -59.95 -43.84 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.064 -1.023 . . . . 0.0 108.471 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 110' ' ' GLN . . . -63.58 -47.24 88.77 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.571 -1.811 . . . . 0.0 108.571 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.05 -49.68 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.301 -1.117 . . . . 0.0 109.432 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.04 -47.92 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.965 -1.084 . . . . 0.0 109.364 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.506 ' NE2' ' N ' ' C' ' 12' ' ' GLN . 0.2 OUTLIER -59.92 -40.09 87.69 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.108 -0.995 . . . . 0.0 109.586 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -59.97 -41.16 91.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.122 -0.986 . . . . 0.0 109.228 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -61.21 -41.14 96.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.074 -1.016 . . . . 0.0 109.157 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.04 -43.85 95.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.356 -0.84 . . . . 0.0 109.047 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -40.85 96.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.29 -0.881 . . . . 0.0 109.543 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.26 -42.43 99.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.13 -0.981 . . . . 0.0 109.284 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.98 -44.93 94.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 108.774 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.02 -47.11 87.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.257 -0.902 . . . . 0.0 110.047 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.49 -40.57 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.939 -1.101 . . . . 0.0 109.838 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.98 -41.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.074 -1.016 . . . . 0.0 108.939 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.58 -40.12 93.62 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.518 -0.739 . . . . 0.0 109.213 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.519 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 33.3 mmt180 -60.61 -40.5 92.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 0.0 109.135 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.59 -40.05 90.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.181 -0.949 . . . . 0.0 109.185 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -59.9 -49.1 79.01 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 109.503 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.47 -43.38 98.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.235 -0.916 . . . . 0.0 109.567 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.21 -40.09 94.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.354 -0.841 . . . . 0.0 109.664 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.93 -40.45 88.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.68 -40.41 92.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.298 -0.876 . . . . 0.0 110.093 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.449 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.2 mt -62.64 -40.41 96.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.146 -0.971 . . . . 0.0 110.05 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 63.3 p -63.07 -40.0 96.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.989 -1.07 . . . . 0.0 109.699 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.12 -40.12 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 108.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -59.91 -42.46 93.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.368 -0.832 . . . . 0.0 110.372 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.1 92.69 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.513 -1.327 . . . . 0.0 110.135 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.6 m -60.05 -49.89 75.86 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.961 -1.317 . . . . 0.0 109.443 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.98 -39.95 87.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 109.849 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.656 HD21 HH21 ' C' ' 41' ' ' ARG . 51.0 t-20 -60.07 -39.95 87.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.082 -1.012 . . . . 0.0 109.308 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.99 -40.12 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.062 -1.024 . . . . 0.0 109.929 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.02 -40.41 89.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.035 -1.041 . . . . 0.0 109.741 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 70.6 p -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.656 HH21 HD21 ' C' ' 37' ' ' ASN . 27.2 mtt-85 -63.16 -39.95 96.14 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -40.75 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.235 -0.915 . . . . 0.0 108.738 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 61.8 p -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.475 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -45.12 85.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.369 -1.457 . . . . 0.0 108.451 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.21 -40.05 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.11 -39.91 87.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.109 -0.994 . . . . 0.0 109.416 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.93 -40.03 95.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.877 -1.14 . . . . 0.0 109.436 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 44.2 m-85 -64.89 -39.29 93.29 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 109.852 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.97 -39.76 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.011 -1.056 . . . . 0.0 108.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.464 -1.397 . . . . 0.0 108.318 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' C' ' 51' ' ' ASP . 55.3 t0 -60.04 -38.33 82.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.0 108.614 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.632 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.16 -39.96 84.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.108 -0.995 . . . . 0.0 109.146 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.632 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.98 -38.7 83.34 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.79 -1.194 . . . . 0.0 108.333 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -60.01 -39.95 87.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.419 -0.801 . . . . 0.0 110.041 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.83 113.99 12.77 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.908 -1.12 . . . . 0.0 109.162 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.755 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 72.3 m-80 -133.33 -55.45 0.91 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.459 -0.775 . . . . 0.0 110.182 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.646 ' HB3' HG23 ' C' ' 68' ' ' THR . . . -155.57 115.6 3.72 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.164 -0.96 . . . . 0.0 110.113 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -101.87 118.79 37.64 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.366 -0.834 . . . . 0.0 110.424 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.38 27.21 73.5 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.191 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.35 22.29 0.09 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.518 -1.578 . . . . 0.0 109.374 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -161.78 114.19 1.78 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.182 -0.949 . . . . 0.0 109.576 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 34.8 m-85 -115.02 12.03 16.61 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.402 -0.811 . . . . 0.0 110.54 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.64 ' NH1' ' NH1' ' A' ' 63' ' ' ARG . 51.3 mtp180 -140.25 25.3 2.27 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.505 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 42.3 mt-30 -141.61 152.86 44.38 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.21 56.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.026 -1.047 . . . . 0.0 108.199 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.42 156.14 40.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.597 -0.69 . . . . 0.0 109.481 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -131.86 133.26 44.44 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.646 HG23 ' HB3' ' C' ' 57' ' ' ALA . 0.0 OUTLIER -91.09 110.0 21.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.643 -1.285 . . . . 0.0 109.309 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.514 ' O ' HG23 ' C' ' 69' ' ' THR . 8.8 t -118.37 122.72 43.54 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.755 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 85.0 t -126.47 85.8 59.55 Favored Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.554 -0.716 . . . . 0.0 109.83 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -86.85 60.7 4.15 Favored 'Trans proline' 0 C--N 1.315 -1.201 0 C-N-CA 122.703 2.269 . . . . 0.0 111.099 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' C' ' 73' ' ' PRO . 16.1 t90 -69.85 135.25 87.74 Favored Pre-proline 0 C--N 1.302 -1.461 0 O-C-N 121.591 -0.693 . . . . 0.0 109.352 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' C' ' 72' ' ' TRP . 99.9 Cg_exo -40.13 150.26 0.11 Allowed 'Trans proline' 0 N--CA 1.487 1.118 0 C-N-CA 121.388 1.392 . . . . 0.0 110.628 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 38.8 t30 -127.45 -57.4 1.29 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.329 -0.857 . . . . 0.0 109.58 -178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.04 126.74 35.56 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 9.9 p -81.08 110.83 16.97 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.865 -1.147 . . . . 0.0 107.971 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt -79.8 134.99 36.38 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.581 0.705 . . . . 0.0 110.212 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.546 HG23 ' O ' ' C' ' 78' ' ' THR . 6.4 t -93.47 113.47 60.28 Favored Pre-proline 0 N--CA 1.494 1.746 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -91.98 -48.17 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.053 0 C-N-CA 121.705 1.603 . . . . 0.0 114.403 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -121.57 -43.91 2.37 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.172 -0.955 . . . . 0.0 113.52 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 4.8 p90 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.359 -1.463 . . . . 0.0 112.39 -175.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 62.0 t30 -71.18 -44.98 64.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.067 -1.646 . . . . 0.0 109.986 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . 0.571 HD21 ' NE2' ' C' ' 87' ' ' GLN . 46.9 t30 -60.03 -50.02 75.37 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.182 -0.949 . . . . 0.0 109.916 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.07 -44.31 97.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.837 -1.165 . . . . 0.0 109.523 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 81' ' ' TRP . 74.5 p -70.03 -39.96 75.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -69.34 -40.06 77.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.993 -1.067 . . . . 0.0 109.514 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . 0.571 ' NE2' HD21 ' C' ' 83' ' ' ASN . 91.6 mt-30 -60.0 -41.25 91.69 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.832 -1.168 . . . . 0.0 108.843 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.18 -40.03 94.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.038 -1.039 . . . . 0.0 108.716 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.452 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 58.9 t90 -60.06 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.47 -0.769 . . . . 0.0 109.123 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -63.33 -41.5 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.63 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -60.17 -42.42 94.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.105 -0.997 . . . . 0.0 110.403 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -59.91 -42.37 93.75 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.783 -1.198 . . . . 0.0 109.082 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.72 -40.92 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.335 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.55 -40.14 90.5 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.084 -1.01 . . . . 0.0 110.813 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -68.89 -39.92 79.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.941 -1.099 . . . . 0.0 109.684 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.47 -40.43 89.34 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.12 -0.988 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.19 -44.0 96.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.962 -1.086 . . . . 0.0 109.75 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.24 -47.54 85.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.149 -0.969 . . . . 0.0 109.428 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.439 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 28.7 t-20 -60.01 -46.44 89.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.29 -0.881 . . . . 0.0 109.63 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.01 -44.71 95.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.181 -0.949 . . . . 0.0 109.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 37.4 p -60.55 -42.41 96.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.988 -1.07 . . . . 0.0 109.677 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -49.01 79.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.128 -0.982 . . . . 0.0 109.463 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.01 -45.55 92.4 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.303 -0.873 . . . . 0.0 109.542 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.99 -41.65 92.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -0.924 . . . . 0.0 109.496 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.06 -46.7 88.69 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.151 -0.968 . . . . 0.0 109.684 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.44 -40.58 96.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.934 -1.104 . . . . 0.0 109.598 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.9 86.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' C' ' 112' ' ' GLU . 94.8 mt-30 -60.73 -43.46 97.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.096 -1.002 . . . . 0.0 109.732 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 94.2 mt -70.0 -40.08 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.906 -1.121 . . . . 0.0 109.208 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' B' ' 9' ' ' GLY . 63.1 tt0 -69.59 -39.99 76.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.39 -0.819 . . . . 0.0 109.91 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.98 -49.27 78.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 0.0 109.829 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 112' ' ' GLU . 3.3 mp0 -59.95 -43.31 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.253 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.84 -41.72 96.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.158 -0.964 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -62.18 -48.42 80.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.921 -1.112 . . . . 0.0 109.931 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 56.7 ttp -63.77 -40.05 95.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.1 -1.0 . . . . 0.0 109.204 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -59.99 -47.27 86.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.414 -0.803 . . . . 0.0 109.395 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.07 -39.99 96.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.138 -0.976 . . . . 0.0 109.213 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.34 -42.87 96.59 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 109.813 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.3 mt-30 -61.24 -40.27 93.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.026 -1.046 . . . . 0.0 109.624 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -60.05 -39.98 87.83 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.44 -0.787 . . . . 0.0 109.774 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.51 -46.95 87.36 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -120.7 60.51 0.9 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.571 -0.706 . . . . 0.0 109.134 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.414 ' N ' ' O ' ' C' ' 119' ' ' GLN . 4.5 p . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.272 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 97.3 mt-30 -69.99 144.3 52.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.088 -1.008 . . . . 0.0 109.327 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -88.75 57.73 4.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 108.874 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.39 -39.99 92.89 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.477 -0.764 . . . . 0.0 109.042 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.55 HG23 ' N ' ' A' ' 6' ' ' LEU . 13.6 t -60.1 -45.4 93.09 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.329 -0.857 . . . . 0.0 109.557 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.55 ' N ' HG23 ' A' ' 5' ' ' THR . 62.7 tp -60.34 -44.39 95.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.084 -1.01 . . . . 0.0 108.697 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.3 -40.11 89.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.412 -0.805 . . . . 0.0 109.718 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.08 87.58 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.69 56.43 Favored Glycine 0 N--CA 1.487 2.062 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.83 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -1.149 . . . . 0.0 109.604 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.45 89.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.814 -1.179 . . . . 0.0 108.697 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.476 ' CG ' HE22 ' B' ' 110' ' ' GLN . 71.1 tp60 -60.7 -40.88 93.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.453 -0.779 . . . . 0.0 109.325 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.467 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 3.8 tp-100 -60.26 -42.16 94.74 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.98 -40.95 90.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.044 -1.035 . . . . 0.0 109.364 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.57 -42.49 96.74 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.213 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 27.5 mt-30 -62.55 -41.77 99.11 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.174 -0.954 . . . . 0.0 109.52 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.79 -42.11 98.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 0.0 109.149 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 104' ' ' LEU . 44.0 tp -59.92 -43.87 94.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.31 -0.869 . . . . 0.0 109.022 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 55.3 t0 -60.0 -45.45 92.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -0.817 . . . . 0.0 109.842 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.07 -39.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.762 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.01 -40.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.096 -1.003 . . . . 0.0 108.538 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 63.6 tttm -60.33 -40.72 91.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.645 -0.659 . . . . 0.0 109.703 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.711 ' HE ' ' ND2' ' B' ' 99' ' ' ASN . 10.2 mpt_? -60.01 -41.24 91.69 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.24 -0.912 . . . . 0.0 109.492 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.92 -39.93 87.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.887 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -59.97 -49.41 77.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.0 109.826 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 10.5 mp0 -63.49 -40.42 97.04 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.67 -1.269 . . . . 0.0 109.66 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 HD13 ' B' ' 28' ' ' LEU . 27.5 tp -60.98 -41.65 96.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.205 -0.934 . . . . 0.0 109.682 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.12 -39.98 88.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.11 -40.55 90.05 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.121 -0.987 . . . . 0.0 109.642 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 98.0 mt -62.03 -40.42 95.67 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.037 -1.039 . . . . 0.0 109.535 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -63.55 -40.06 96.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.715 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.96 -39.98 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 109.232 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -60.0 -47.67 84.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.342 -0.849 . . . . 0.0 109.977 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.54 -48.83 73.67 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.06 75.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.055 -1.262 . . . . 0.0 109.898 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.63 -40.04 90.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 0.0 109.683 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.703 HD21 HH21 ' A' ' 41' ' ' ARG . 40.6 t30 -60.06 -41.04 91.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.215 -0.928 . . . . 0.0 110.105 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.92 -40.11 94.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.064 -1.023 . . . . 0.0 110.008 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.78 95.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 61.2 p -61.86 -40.06 94.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.09 -1.006 . . . . 0.0 108.618 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.703 HH21 HD21 ' A' ' 37' ' ' ASN . 44.9 mtt-85 -67.78 -39.92 84.03 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.46 -40.85 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.52 -0.737 . . . . 0.0 109.16 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 40' ' ' THR . 41.7 p -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 109.237 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.99 93.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 108.53 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.18 -39.93 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -39.91 87.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.77 -41.89 98.29 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.841 -1.162 . . . . 0.0 108.564 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 44.9 m-85 -64.82 -40.05 94.58 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.506 -0.747 . . . . 0.0 109.533 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.581 -1.325 . . . . 0.0 109.267 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.02 -40.2 88.46 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.499 -1.376 . . . . 0.0 108.014 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.32 -39.73 91.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.466 -0.771 . . . . 0.0 109.068 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.55 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -57.08 -40.01 76.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.011 -1.056 . . . . 0.0 108.349 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.73 77.83 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.23 -0.919 . . . . 0.0 108.654 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.97 -39.9 87.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.8 mt -71.31 116.45 11.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.922 -1.111 . . . . 0.0 108.761 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.528 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 33.2 m120 -133.42 -58.99 0.88 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.716 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.704 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.12 116.54 4.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.052 -1.03 . . . . 0.0 110.478 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.646 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 78.2 m95 -100.37 122.05 42.51 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.413 -0.805 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.08 26.77 72.49 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.071 -1.061 . . . . 0.0 110.971 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.48 23.38 0.16 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.581 -1.541 . . . . 0.0 109.594 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.78 105.92 1.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.817 -1.177 . . . . 0.0 110.677 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -104.57 11.83 33.8 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.187 -0.945 . . . . 0.0 109.372 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 60.0 mtp180 -131.78 23.63 4.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.568 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.92 152.69 35.42 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 t -102.72 57.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.15 -0.969 . . . . 0.0 108.854 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.18 158.28 42.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.391 -0.818 . . . . 0.0 109.849 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -126.14 133.3 51.64 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 68' ' ' THR . 7.4 t -90.46 115.47 27.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.585 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 69' ' ' THR . 8.9 t -114.22 121.62 44.28 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 98.6 t -121.99 83.97 44.57 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.584 -0.698 . . . . 0.0 109.205 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -84.44 62.95 6.63 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.616 2.211 . . . . 0.0 111.572 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 26.1 t90 -70.0 130.64 89.68 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.522 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.506 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 82.8 Cg_exo -41.65 148.41 0.32 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.25 1.3 . . . . 0.0 110.518 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.55 ' ND2' ' NE2' ' A' ' 52' ' ' GLN . 20.7 t-20 -130.95 -45.51 1.03 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.221 -0.925 . . . . 0.0 109.356 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.5 123.42 34.17 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.5 t -81.72 106.56 13.76 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.9 mt -81.2 134.75 35.67 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.751 0.786 . . . . 0.0 109.995 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 78' ' ' THR . 6.4 t -91.81 115.16 64.05 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -90.17 -48.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.368 1.379 . . . . 0.0 113.687 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -122.63 -43.71 2.26 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.65 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.9 p90 -59.94 -49.87 75.97 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.247 -1.533 . . . . 0.0 112.478 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.65 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 58.4 t30 -70.07 -42.56 72.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 119.901 -1.749 . . . . 0.0 109.405 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.04 -50.68 72.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 0.0 110.627 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.07 -43.0 99.78 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.764 -1.21 . . . . 0.0 109.3 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 81' ' ' TRP . 68.1 p -69.56 -40.06 77.03 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -67.86 -39.99 83.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.972 -1.08 . . . . 0.0 109.776 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.92 -40.88 90.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.919 -1.113 . . . . 0.0 109.057 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.29 -40.88 95.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.006 -1.059 . . . . 0.0 108.794 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.95 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.144 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.54 -39.91 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.342 -0.849 . . . . 0.0 109.616 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -63.72 -40.49 96.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.097 -1.002 . . . . 0.0 109.78 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -59.97 -43.3 95.18 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.054 -1.029 . . . . 0.0 109.315 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.99 -40.0 85.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.256 -0.903 . . . . 0.0 109.384 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.92 -40.73 94.29 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.935 . . . . 0.0 110.863 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -68.15 -39.99 82.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.802 -1.186 . . . . 0.0 109.207 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.91 -42.69 97.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.179 -0.95 . . . . 0.0 109.534 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -44.95 94.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.935 -1.103 . . . . 0.0 109.599 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.62 -41.58 99.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 0.0 109.379 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.721 ' ND2' ' HE ' ' C' ' 23' ' ' ARG . 55.9 t-20 -63.56 -45.59 89.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.071 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.7 mt -60.37 -46.22 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.389 -0.819 . . . . 0.0 109.464 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -60.06 -41.96 93.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.257 -0.902 . . . . 0.0 109.615 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.88 84.03 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.204 -0.935 . . . . 0.0 108.91 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.01 -45.25 93.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.848 . . . . 0.0 109.203 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.449 HD23 HD11 ' A' ' 18' ' ' LEU . 87.9 mt -60.56 -43.57 97.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.235 -0.916 . . . . 0.0 109.511 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -59.94 -45.24 93.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 108.984 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.72 -40.61 97.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.458 -0.776 . . . . 0.0 109.753 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.87 95.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.342 -0.849 . . . . 0.0 109.224 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.14 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 109.476 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.478 ' CG2' ' NZ ' ' A' ' 113' ' ' LYS . 97.9 mt -69.79 -42.87 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.208 -0.933 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 57.0 tt0 -68.42 -39.97 81.39 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.136 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -60.04 -47.16 87.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.807 . . . . 0.0 109.359 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.18 -41.34 98.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.083 -1.01 . . . . 0.0 109.362 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.478 ' NZ ' ' CG2' ' A' ' 109' ' ' ILE . 56.0 mttp -62.48 -42.96 99.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.083 -1.011 . . . . 0.0 109.839 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.34 -45.42 94.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.898 -1.126 . . . . 0.0 109.615 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.99 -40.04 79.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 0.0 109.005 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.02 -46.25 90.11 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.335 -0.853 . . . . 0.0 108.91 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.2 -40.01 88.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.233 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.16 -42.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -60.98 -40.01 91.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.865 . . . . 0.0 109.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.17 -39.97 88.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.428 -0.795 . . . . 0.0 109.523 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.93 -48.55 81.22 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -116.1 58.3 0.75 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.556 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.524 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 97.1 mt-30 -70.02 144.14 52.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.933 . . . . 0.0 109.341 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -88.64 57.81 4.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 108.944 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -65.36 -39.99 93.03 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.027 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.548 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.3 t -60.06 -45.38 93.07 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.348 -0.845 . . . . 0.0 109.511 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.548 ' N ' HG23 ' B' ' 5' ' ' THR . 63.3 tp -60.31 -44.6 95.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.106 -0.997 . . . . 0.0 108.645 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.28 -39.96 88.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.429 -0.794 . . . . 0.0 109.777 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.06 87.7 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.114 -0.991 . . . . 0.0 108.413 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.58 56.74 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.0 -49.01 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.206 -1.173 . . . . 0.0 109.552 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.49 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.909 -1.12 . . . . 0.0 108.76 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.42 ' CG ' HE22 ' C' ' 110' ' ' GLN . 71.0 tp60 -60.58 -40.93 93.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.344 -0.848 . . . . 0.0 109.263 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 3.8 tp-100 -60.09 -42.09 93.91 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 0.0 109.952 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.01 -40.94 91.0 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.976 -1.078 . . . . 0.0 109.466 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.301 -0.874 . . . . 0.0 109.24 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 27.5 mt-30 -62.27 -41.89 98.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.187 -0.945 . . . . 0.0 109.51 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.86 -42.04 98.57 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.179 -0.95 . . . . 0.0 109.194 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.444 HD11 HD23 ' B' ' 104' ' ' LEU . 43.4 tp -59.93 -43.67 94.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.302 -0.874 . . . . 0.0 109.04 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.503 ' OD1' ' NH1' ' B' ' 23' ' ' ARG . 56.4 t0 -59.98 -45.7 91.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.0 109.946 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.95 -39.96 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.168 -0.958 . . . . 0.0 109.71 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -40.49 83.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.047 -1.033 . . . . 0.0 108.542 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 63.9 tttm -60.34 -40.77 91.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.589 -0.694 . . . . 0.0 109.79 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.713 ' HE ' ' ND2' ' C' ' 99' ' ' ASN . 10.2 mpt_? -59.99 -41.14 91.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.516 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.138 -0.977 . . . . 0.0 109.0 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -49.29 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.0 109.803 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 10.5 mp0 -63.62 -40.14 96.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.696 -1.252 . . . . 0.0 109.682 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.09 -41.69 97.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.653 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.412 HD13 HD23 ' A' ' 27' ' ' LEU . 26.1 mt -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.311 -0.868 . . . . 0.0 109.479 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.01 -40.67 90.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.179 -0.951 . . . . 0.0 109.67 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.8 mt -61.93 -40.65 96.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.051 -1.03 . . . . 0.0 109.584 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.3 p -63.5 -39.98 95.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.655 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.98 -40.03 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.38 -0.825 . . . . 0.0 109.279 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -59.99 -47.41 85.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.438 -0.788 . . . . 0.0 110.111 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.64 -48.72 75.06 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -50.01 75.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.004 -1.291 . . . . 0.0 109.831 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -60.76 -40.0 90.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.116 -0.99 . . . . 0.0 109.661 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.739 HD21 HH21 ' B' ' 41' ' ' ARG . 40.9 t30 -59.95 -41.3 91.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.123 -0.986 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.82 -40.11 94.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.032 -1.043 . . . . 0.0 109.977 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.03 -42.87 95.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.937 -1.102 . . . . 0.0 109.195 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.8 p -61.88 -39.97 93.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.115 -0.99 . . . . 0.0 108.717 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.739 HH21 HD21 ' B' ' 37' ' ' ASN . 44.6 mtt-85 -67.69 -40.06 84.38 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.52 -40.69 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.433 -0.792 . . . . 0.0 109.184 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 40' ' ' THR . 42.4 p -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.032 -1.043 . . . . 0.0 109.301 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.0 93.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 108.569 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -60.2 -39.91 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.97 -40.11 87.95 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.436 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.45 -42.29 98.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.832 -1.168 . . . . 0.0 108.645 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.1 m-85 -64.67 -40.01 94.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.457 -0.777 . . . . 0.0 109.536 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.639 -1.288 . . . . 0.0 109.205 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.483 -1.386 . . . . 0.0 108.132 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -61.3 -39.98 92.47 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.537 ' NE2' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -56.95 -40.0 75.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.009 -1.057 . . . . 0.0 108.406 -179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.68 77.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 108.651 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.02 -39.98 87.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.412 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.29 116.56 11.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.908 -1.12 . . . . 0.0 108.692 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 33.2 m120 -133.34 -59.25 0.87 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.32 -0.862 . . . . 0.0 110.746 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.646 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.86 116.31 4.38 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.077 -1.014 . . . . 0.0 110.356 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.716 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 78.2 m95 -100.2 122.35 42.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.492 -0.755 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' C' ' 60' ' ' ALA . . . 65.86 26.69 72.27 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.079 -1.058 . . . . 0.0 111.047 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.465 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -76.75 23.69 0.16 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.666 -1.491 . . . . 0.0 109.574 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.13 105.04 1.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.82 -1.175 . . . . 0.0 110.676 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -103.67 11.69 35.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.472 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 60.3 mtp180 -131.48 23.57 4.75 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.565 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.7 152.83 35.98 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.359 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 t -102.72 57.76 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.101 -0.999 . . . . 0.0 108.779 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.19 158.4 42.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.802 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.25 133.14 51.55 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 68' ' ' THR . 7.0 t -90.48 115.32 27.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.764 -1.21 . . . . 0.0 109.62 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.549 ' O ' HG23 ' B' ' 69' ' ' THR . 9.0 t -113.97 121.73 44.78 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.472 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 97.9 t -122.21 84.08 46.01 Favored Pre-proline 0 N--CA 1.494 1.737 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -84.92 63.31 6.28 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 122.622 2.215 . . . . 0.0 111.527 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 25.9 t90 -70.0 130.48 89.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.405 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.501 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 82.6 Cg_exo -41.55 148.37 0.3 Allowed 'Trans proline' 0 N--CA 1.487 1.116 0 C-N-CA 121.27 1.313 . . . . 0.0 110.506 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.6 t-20 -130.83 -45.54 1.05 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.286 -0.884 . . . . 0.0 109.397 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.44 123.24 33.99 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -81.71 107.0 14.09 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.69 134.82 35.51 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.752 0.787 . . . . 0.0 110.0 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.58 ' O ' HG23 ' B' ' 78' ' ' THR . 6.7 t -91.69 115.04 63.78 Favored Pre-proline 0 C--N 1.3 -1.583 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -89.93 -48.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 121.387 1.391 . . . . 0.0 113.795 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.65 -43.72 2.26 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.9 p90 -59.99 -49.83 76.15 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 112.604 -175.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 57.7 t30 -69.97 -42.44 73.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 119.951 -1.718 . . . . 0.0 109.35 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.99 -50.9 71.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 0.0 110.685 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.75 -43.07 99.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.87 -1.143 . . . . 0.0 109.341 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.431 HG23 ' O ' ' B' ' 81' ' ' TRP . 72.4 p -69.77 -40.06 76.3 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.347 -0.846 . . . . 0.0 109.596 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -67.68 -39.95 84.45 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.09 -40.81 90.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.892 -1.13 . . . . 0.0 109.077 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.47 -40.68 95.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.018 -1.051 . . . . 0.0 108.702 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.516 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.322 -0.861 . . . . 0.0 109.115 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.61 -40.07 94.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.214 -0.929 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.4 -40.6 97.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.87 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -60.04 -43.07 95.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.987 -1.071 . . . . 0.0 109.393 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.97 -40.05 85.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.349 -0.844 . . . . 0.0 109.384 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -61.04 -40.62 94.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.178 -0.951 . . . . 0.0 110.796 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -68.37 -39.99 81.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.746 -1.221 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.77 -42.85 97.7 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.127 -0.983 . . . . 0.0 109.467 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.14 -44.77 94.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.988 -1.07 . . . . 0.0 109.688 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.71 -41.05 98.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.142 -0.974 . . . . 0.0 109.343 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.711 ' ND2' ' HE ' ' A' ' 23' ' ' ARG . 56.0 t-20 -64.14 -45.56 88.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.161 -0.962 . . . . 0.0 109.042 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.19 -46.35 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.449 -0.782 . . . . 0.0 109.514 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -60.06 -41.83 93.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -0.937 . . . . 0.0 109.496 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.16 82.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.319 -0.863 . . . . 0.0 108.908 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.96 -45.48 92.54 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.321 -0.862 . . . . 0.0 109.051 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.444 HD23 HD11 ' B' ' 18' ' ' LEU . 87.6 mt -60.34 -43.64 96.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.0 -45.12 93.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 109.015 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.82 -40.56 97.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.41 -0.806 . . . . 0.0 109.802 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.85 95.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.306 -0.871 . . . . 0.0 109.23 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -60.95 -43.11 99.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.484 ' CG2' ' NZ ' ' B' ' 113' ' ' LYS . 97.4 mt -69.75 -42.74 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.27 -0.893 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.476 HE22 ' CG ' ' A' ' 12' ' ' GLN . 56.7 tt0 -68.67 -39.95 80.39 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.403 -0.81 . . . . 0.0 109.065 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -60.01 -46.41 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.409 -0.807 . . . . 0.0 109.396 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.21 -40.78 98.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.161 -0.962 . . . . 0.0 109.324 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . 0.484 ' NZ ' ' CG2' ' B' ' 109' ' ' ILE . 55.6 mttp -62.8 -43.33 99.09 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.124 -0.985 . . . . 0.0 109.846 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.74 -45.83 92.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.84 -39.94 79.67 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.025 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.0 -45.72 91.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.343 -0.848 . . . . 0.0 108.91 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.72 -40.06 90.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.929 . . . . 0.0 109.215 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.01 -42.42 94.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' B' ' 123' ' ' SER . 78.1 mt-30 -60.94 -40.01 91.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.0 109.358 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.16 -40.01 88.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 109.479 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.93 -48.38 81.94 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -116.18 58.32 0.75 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.4 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.5 t . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.659 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 97.2 mt-30 -70.34 144.33 51.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.282 -0.886 . . . . 0.0 109.368 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -88.62 57.94 4.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.05 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -65.61 -39.96 92.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.477 -0.764 . . . . 0.0 109.126 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' C' ' 6' ' ' LEU . 13.2 t -60.16 -45.49 92.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.298 -0.876 . . . . 0.0 109.452 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' C' ' 5' ' ' THR . 63.1 tp -60.03 -44.78 94.4 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.078 -1.014 . . . . 0.0 108.706 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.2 -39.99 88.52 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.366 -0.834 . . . . 0.0 109.835 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.02 87.8 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.091 -1.006 . . . . 0.0 108.304 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.88 -45.63 56.66 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 108.832 -1.707 . . . . 0.0 108.832 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -48.74 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.258 -1.143 . . . . 0.0 109.664 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.57 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.99 -1.069 . . . . 0.0 108.777 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.421 ' CG ' HE22 ' A' ' 110' ' ' GLN . 70.9 tp60 -60.64 -40.79 93.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.476 -0.765 . . . . 0.0 109.376 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' C' ' 16' ' ' GLN . 3.8 tp-100 -60.22 -41.91 94.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.275 -0.891 . . . . 0.0 109.928 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.39 -40.83 92.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.044 -1.035 . . . . 0.0 109.373 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.47 -42.89 97.13 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.213 -0.929 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 27.5 mt-30 -62.12 -42.24 99.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 109.512 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -42.23 98.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.32 -0.862 . . . . 0.0 109.169 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.425 HD11 HD23 ' C' ' 104' ' ' LEU . 42.1 tp -59.99 -43.65 95.02 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.4 -0.813 . . . . 0.0 108.942 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . 0.492 ' OD1' ' NH1' ' C' ' 23' ' ' ARG . 54.8 t0 -60.05 -45.64 92.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.392 -0.817 . . . . 0.0 109.896 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.96 -40.07 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.085 -1.01 . . . . 0.0 109.682 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.99 -40.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.065 -1.022 . . . . 0.0 108.566 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.464 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 63.7 tttm -60.46 -40.71 92.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.576 -0.703 . . . . 0.0 109.692 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.721 ' HE ' ' ND2' ' A' ' 99' ' ' ASN . 10.2 mpt_? -59.96 -41.16 91.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.218 -0.926 . . . . 0.0 109.503 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.135 -0.978 . . . . 0.0 108.948 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.06 -49.31 78.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.182 -0.949 . . . . 0.0 109.851 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 10.3 mp0 -63.52 -40.16 96.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.684 -1.26 . . . . 0.0 109.703 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.1 -41.76 97.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.25 -0.906 . . . . 0.0 109.646 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.96 -40.0 87.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 109.505 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.14 -40.49 90.01 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.147 -0.971 . . . . 0.0 109.672 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 98.1 mt -62.22 -40.25 95.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.046 -1.034 . . . . 0.0 109.586 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -63.8 -40.04 95.69 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.664 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.79 -40.05 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.21 -0.931 . . . . 0.0 109.279 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.96 -47.51 85.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 0.0 110.044 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.57 -48.83 73.88 Favored Glycine 0 N--CA 1.486 2.016 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.08 -49.95 75.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.036 -1.273 . . . . 0.0 109.837 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.82 -40.05 91.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.091 -1.006 . . . . 0.0 109.64 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.73 HD21 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.01 -41.24 91.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.197 -0.939 . . . . 0.0 109.991 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -40.24 94.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.998 -1.064 . . . . 0.0 110.027 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -59.98 -42.5 94.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.087 -1.008 . . . . 0.0 109.279 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' C' ' 43' ' ' THR . 64.8 p -62.25 -39.97 94.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.111 -0.993 . . . . 0.0 108.651 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.73 HH21 HD21 ' C' ' 37' ' ' ASN . 44.6 mtt-85 -67.66 -39.99 84.5 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.28 -40.97 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.373 -0.829 . . . . 0.0 109.18 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' C' ' 40' ' ' THR . 43.5 p -60.01 -39.94 87.52 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.079 -1.013 . . . . 0.0 109.238 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.99 93.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.935 -1.103 . . . . 0.0 108.447 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.21 -39.91 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -59.96 -40.05 87.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.179 -0.951 . . . . 0.0 109.454 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.55 -41.89 98.03 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.922 -1.111 . . . . 0.0 108.648 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -65.03 -39.99 94.18 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.444 -0.785 . . . . 0.0 109.519 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.557 -1.339 . . . . 0.0 109.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.01 -40.09 88.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.527 -1.358 . . . . 0.0 108.064 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -61.34 -39.9 92.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.508 -0.745 . . . . 0.0 109.159 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.536 ' NE2' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -57.05 -40.1 76.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.901 -1.124 . . . . 0.0 108.364 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.64 77.6 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.312 -0.868 . . . . 0.0 108.699 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.05 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.26 116.5 11.65 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.986 -1.071 . . . . 0.0 108.677 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' C' ' 70' ' ' VAL . 33.4 m120 -133.54 -58.86 0.87 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.315 -0.866 . . . . 0.0 110.684 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.716 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.95 116.33 4.36 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.155 -0.966 . . . . 0.0 110.403 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.704 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 78.0 m95 -100.27 121.78 42.02 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.445 -0.785 . . . . 0.0 110.307 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 66.32 26.84 72.71 Favored Glycine 0 N--CA 1.493 2.457 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.981 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.66 23.66 0.16 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.66 -1.494 . . . . 0.0 109.653 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.01 105.85 1.57 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.794 -1.191 . . . . 0.0 110.621 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -104.41 11.69 34.28 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.154 -0.966 . . . . 0.0 109.444 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.481 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 60.0 mtp180 -131.5 23.68 4.75 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.579 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.97 152.7 35.38 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.433 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.79 58.05 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.027 -1.046 . . . . 0.0 108.835 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.31 158.4 42.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.461 -0.774 . . . . 0.0 109.8 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -126.1 133.11 51.75 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.527 ' O ' HG23 ' C' ' 68' ' ' THR . 7.1 t -90.35 115.16 27.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.834 -1.166 . . . . 0.0 109.6 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.554 ' O ' HG23 ' C' ' 69' ' ' THR . 9.0 t -114.2 121.63 44.31 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.485 ' N ' ' OD1' ' C' ' 56' ' ' ASN . 98.2 t -122.04 84.15 45.0 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.68 63.05 6.45 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.629 2.219 . . . . 0.0 111.507 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.503 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 27.2 t90 -70.04 130.48 89.76 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.433 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.503 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 79.9 Cg_exo -41.35 148.33 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.265 1.31 . . . . 0.0 110.489 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 20.3 t-20 -130.92 -45.31 1.04 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.229 -0.919 . . . . 0.0 109.368 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.55 123.39 34.18 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 38.5 t -81.6 106.5 13.6 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.31 134.9 35.65 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.767 0.794 . . . . 0.0 109.895 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.583 HG23 ' O ' ' C' ' 78' ' ' THR . 6.8 t -91.84 115.32 64.36 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -90.23 -48.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.358 1.372 . . . . 0.0 113.805 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -122.55 -43.73 2.27 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.93 -49.78 76.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.388 -1.445 . . . . 0.0 112.552 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.64 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 57.7 t30 -70.08 -42.64 72.51 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 119.888 -1.757 . . . . 0.0 109.384 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -60.11 -50.53 73.34 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.334 -0.854 . . . . 0.0 110.639 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.87 -43.24 99.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.181 . . . . 0.0 109.342 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.427 HG23 ' O ' ' C' ' 81' ' ' TRP . 68.6 p -69.66 -39.99 76.72 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 109.464 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -67.82 -40.02 83.84 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.944 -1.097 . . . . 0.0 109.727 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -59.96 -41.02 91.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.798 -1.189 . . . . 0.0 109.088 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.14 -40.96 95.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.036 -1.04 . . . . 0.0 108.782 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 64.5 t90 -59.95 -50.0 75.46 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.373 -0.829 . . . . 0.0 109.122 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -40.1 95.01 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.548 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -63.37 -40.54 97.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.912 . . . . 0.0 109.911 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -59.96 -43.44 95.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.971 -1.081 . . . . 0.0 109.299 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -40.0 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.81 -40.58 93.25 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.0 110.826 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.57 -39.97 80.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.698 -1.251 . . . . 0.0 109.279 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.72 -42.67 97.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.215 -0.928 . . . . 0.0 109.501 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.17 -45.09 94.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.606 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.46 -41.49 98.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.16 -0.962 . . . . 0.0 109.37 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.713 ' ND2' ' HE ' ' B' ' 23' ' ' ARG . 55.6 t-20 -63.7 -45.6 89.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.164 -0.96 . . . . 0.0 109.075 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -46.34 94.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.455 -0.778 . . . . 0.0 109.528 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 35.9 p -60.04 -41.89 93.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.525 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.05 83.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.863 . . . . 0.0 108.961 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.01 -45.42 92.82 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.368 -0.833 . . . . 0.0 109.087 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.425 HD23 HD11 ' C' ' 18' ' ' LEU . 87.6 mt -60.42 -43.5 96.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 109.572 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.05 -45.15 93.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.194 -0.941 . . . . 0.0 108.896 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.71 -40.4 97.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.462 -0.774 . . . . 0.0 109.762 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.7 94.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.264 -0.897 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -61.12 -43.04 99.5 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.274 -0.891 . . . . 0.0 109.461 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . 0.496 HG22 ' HZ2' ' C' ' 113' ' ' LYS . 97.4 mt -69.8 -43.12 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.253 -0.904 . . . . 0.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 56.9 tt0 -68.22 -40.1 82.18 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.446 -0.784 . . . . 0.0 109.056 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -59.91 -47.08 87.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -0.828 . . . . 0.0 109.351 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.38 -41.52 98.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.04 -1.037 . . . . 0.0 109.392 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . 0.496 ' HZ2' HG22 ' C' ' 109' ' ' ILE . 55.4 mttp -62.13 -43.35 99.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.0 109.913 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.81 -45.83 92.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.876 -1.14 . . . . 0.0 109.615 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.8 -39.94 79.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.141 -0.974 . . . . 0.0 109.014 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -60.03 -45.95 91.13 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.819 . . . . 0.0 108.892 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.52 -40.03 89.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.287 -0.883 . . . . 0.0 109.153 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.05 -42.6 94.83 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.76 -40.06 91.06 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 109.411 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.02 -39.96 87.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -0.808 . . . . 0.0 109.714 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.87 -48.33 82.14 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -116.34 58.24 0.75 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.608 179.937 . . . . . . . . 0 0 . 1 stop_ save_